SCHEMBL1054908

SCHEMBL1054908

CCOC(=O)C=C(C#N)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.60
MAPT P10636 4/20 0.47
ALDH1A1 P00352 4/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
NPC1 O15118 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
PTGS2 P35354 1/20 0.41
MAPK1 P28482 2/20 0.41
RAB9A P51151 2/20 0.41
DHODH Q02127 1/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
HIF1A Q16665 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31467360 1.00 SMN1; SMN2 (0.60) SMN1; SMN2MAPTALDH1A1POLBMEN1
SCHEMBL9467707 1.00 SMN1; SMN2 (0.60) SMN1; SMN2MAPTALDH1A1POLBMEN1
Ethane SCHEMBL28319082 0.98 SMN1; SMN2 (0.59) SMN1; SMN2MAPTALDH1A1POLBMEN1
SCHEMBL2581993 0.91 SMN1; SMN2 (0.52) SMN1; SMN2MAPTALDH1A1POLBMEN1
SCHEMBL21457569 0.89 SMN1; SMN2 (0.49) SMN1; SMN2MAPTALDH1A1POLBMEN1
SCHEMBL28656274 0.88 LMNA (0.53) SMN1; SMN2MAPTALDH1A1POLBMEN1
SCHEMBL10974068 0.88 SMN1; SMN2 (0.47) SMN1; SMN2MAPTALDH1A1POLBMEN1
SCHEMBL21457376 0.87 SMN1; SMN2 (0.48) SMN1; SMN2MAPTKMT2ANPC1RAB9A
SCHEMBL21457257 0.86 ESR1 (0.51) SMN1; SMN2ALDH1A1MAPK1NPSR1LMNA
SCHEMBL21457423 0.85 SMN1; SMN2 (0.46) SMN1; SMN2MAPTALDH1A1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 80 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113149865-B Preparation method and application of organic basic catalyst for catalytic synthesis of alpha-cyano ethyl cinnamate 吉林化工学院 2023-03-10 CN claimed
CN-113149865-A Preparation method and application of organic basic catalyst for catalytic synthesis of alpha-ethyl cyanocinnamate 吉林化工学院 2021-07-23 CN claimed
WO-2024142146-A1 TEMPERATURE INDICATOR AND METHOD FOR PRODUCING TEMPERATURE INDICATOR 株式会社日立産機システム 2024-07-04 WO disclosed
EP-4390976-A1 COVERING LAYER OBTAINED FROM A POLYMER COMPOSITION COMPRISING AT LEAST ONE THERMOPLASTIC POLYMER MATERIAL AND AT LEAST ONE COMPOUND COMPRISING AT LEAST ONE NITRILE GROUP Nexans (FR) 2024-06-26 EP disclosed
CN-115888827-B Method for constructing heteropolyacid@layered double metal hydroxide acid-base bifunctional catalyst and application thereof 北京化工大学 2024-06-25 CN disclosed
EP-3730911-B1 TEMPERATURE SENSING MATERIAL, AND TEMPERATURE DEVIATION TIME ESTIMATING SYSTEM EMPLOYING SAME HITACHI INDUSTRY EQUIPMENT SYSTEMS CO LTD (JP) 2024-05-01 EP disclosed
CN-117836596-A Temperature indicator manufacturing system and temperature indicator manufacturing method 株式会社日立产机系统 2024-04-05 CN disclosed
US-11933677-B2 Temperature detecting material, temperature detecting ink using same, temperature indicator, and product control system HITACHI INDUSTRIAL EQUIPMENT SYSTEMS CO., LTD. (JP) 2024-03-19 US disclosed
EP-3557208-B1 TEMPERATURE DETECTION MATERIAL AND METHODS FOR MANUFACTURING A TEMPERATURE DETECTION MATERIAL HITACHI INDUSTRY EQUIPMENT SYSTEMS CO LTD (JP) 2024-01-10 EP disclosed
EP-3745106-B1 TEMPERATURE DETECTION INK, TEMPERATURE DETECTION INK INITIALIZATION METHOD, TEMPERATURE INDICATOR, AND ARTICLE MANAGEMENT SYSTEM HITACHI INDUSTRY EQUIPMENT SYSTEMS CO LTD (JP) 2023-10-25 EP disclosed
CN-111542736-B Temperature detecting material and estimation system for temperature deviation time using the same 株式会社日立产机系统 2023-08-29 CN disclosed
US-20040132613-A1 Heterogeneous systems; efficient heat and mass transfer; temperature and residence time control; selectivity, activity; by product minimization; low pressure drop; ease of separation VELOCYS INC. 2004-07-08 US disclosed
WO-2004016348-A1 TETHERED CATALYST PROCESSES IN MICROCHANNEL REACTORS AND SYSTEMS CONTAINING A TETHERED CATALYST OR TETHERED CHIRAL AUXILIARY VELOCYS, INC. (US) 2004-02-26 WO disclosed
EP-0910351-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-28 EP disclosed
EP-0907666-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-14 EP disclosed
WO-1997049736-A2 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed
WO-1997049387-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed
US-5206392-A Reacting arylacetonitriles with glyoxylic acid in presence of base, hydrolyzing, cyclizing AMERICAN CYANAMID COMPANY (US) 1993-04-27 US disclosed
US-4885303-A VASODILATORS, HYPOTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1989-12-05 US disclosed
US-4680413-A Process for the production of 3-phenyl-4-cyanopyrroles NIPPON SODA CO., LTD. (JP) 1987-07-14 US disclosed