SCHEMBL932126

SCHEMBL932126

[CH2]C(N)C(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
CES1 P23141 4/20 0.50
LMNA P02545 4/20 0.50
CES2 O00748 3/20 0.50
AKT1 P31749 1/20 0.48
MAPT P10636 3/20 0.48
CYP3A4 P08684 3/20 0.48
TSHR P16473 2/20 0.48
POLB P06746 1/20 0.48
PARP1 P09874 1/20 0.48
CYP2C19 P33261 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MDM2 Q00987 1/20 0.47
ALDH1A1 P00352 2/20 0.46
DAO P14920 1/20 0.46
NAPRT Q6XQN6 1/20 0.46

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
SCHEMBL45332 0.80 AKT1 (0.48) TDP1L3MBTL1CES1LMNACES2
SCHEMBL3751620 0.80 TDP1 (0.56) TDP1L3MBTL1CES1LMNACES2
SCHEMBL9450434 0.80 TDP1 (0.56) TDP1L3MBTL1CES1LMNACES2
SCHEMBL28960147 0.80 TDP1 (0.56) TDP1L3MBTL1CES1LMNACES2
SCHEMBL2388015 0.78 CES1 (0.58) TDP1L3MBTL1CES1LMNACES2
SCHEMBL4380823 0.78 CES1 (0.58) TDP1L3MBTL1CES1LMNACES2
SCHEMBL27548850 0.78 TDP1 (0.54) TDP1L3MBTL1CES1LMNACES2
SCHEMBL28194072 0.77 AKT1 (0.50) TDP1L3MBTL1CES1LMNACES2
Dealkylated Diethylpropion SCHEMBL25176894 0.76 TDP1 (0.52) TDP1L3MBTL1CES1LMNACES2
SCHEMBL9211939 0.76 TDP1 (0.52) TDP1L3MBTL1CES1LMNACES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114591281-A Preparation method of allyl alcohol compound 河南师范大学 2022-06-07 CN disclosed
CN-109195979-A The catalyst of hydroformylation and application thereof for alkene 柏林工业大学 2019-01-11 CN disclosed
CN-106414481-A Method for producing chimeric oligo-phenolic peptides in filamentous fungi 柏林工业大学 2017-02-15 CN disclosed
CN-102947697-B For detecting the multisensor array of analysis thing in gas or liquid phase or its potpourri DANMARKS TEKNISKE UNIVERSITET (DK) 2015-12-16 CN disclosed
CN-102947697-A Multisensor array for detection of analytes or mixtures thereof in gas or liquid phase UNIV DANMARKS TEKNISKE 2013-02-27 CN disclosed
EP-2448944-A2 ISOMANNIDE DERIVATIVES AND THEIR USE AS TASTANTS Senomyx, Inc. (US) 2012-05-09 EP disclosed
WO-2011002871-A2 ISOMANNIDE DERIVATIVES AND THEIR USE AS TASTANTS SENOMYX, INC (US) 2011-01-06 WO disclosed
CN-101189214-A Substituted 4, 5-dihydro-1, 2, 4-triazin-6-ones, 1, 2, 4-triazin-6-ones and their use as fungicides DOW AGROSCIENCES LLC (US) 2008-05-28 CN disclosed
EP-1865963-A2 TRIAZADIBENZOAZULENE COMPOUNDS USEFUL FOR THE TREATMENT AND PREVENTION OF PAIN AND SCREENING METHODS THEREFOR Acadia Pharmaceuticals Inc. (US) 2007-12-19 EP disclosed
WO-2006089286-A2 TRIAZADIBENZOAZULENE COMPOUNDS USEFUL FOR THE TREATMENT AND PREVENTION OF PAIN AND SCREENING METHODS THEREFOR COMPOUNDS USEFUL FOR THE TREATMENT AND PREVENTION OF PAIN AND SCREENING METHODS THEREFOR ACADIA PHARMACEUTICALS INC. (US) 2006-08-24 WO disclosed
WO-2001014879-A1 4-UNSUBSTITUTED DIHYDROISOQUINOLINONE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-03-01 WO disclosed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 WO disclosed
CN-1253019-A Method for preparing pharmaceutical composition capable of inhibiting postinfectious viral protease ALBERT LAB (US) 2000-05-17 CN disclosed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO disclosed
CN-1052240-C Process for preparing inhibitors of postinfective viral proteases ABBOTT LAB (DE) 2000-05-10 CN disclosed
CN-1028995-C Acylaminomethyl-phosphinie acid and process for preparing acylmethane-phosphonic acid and acylaminomethyl-phosphinic acid HOECHST AG (DE) 1995-06-21 CN disclosed
CN-1059147-A Aroylamino methyl phosphinic acid and the method for preparing acylmethane-phosphonic acid and aroylamino methyl phosphinic acid HOECHST AG (DE) 1992-03-04 CN disclosed
CN-1053429-A INDOLE-SUBSTITUTED FIVE-MEMBERED HETEROAROMATIC COMPOUNDS MERCK SHARP & DOHME (GB) 1991-07-31 CN disclosed
CN-1050545-A Inhibitors of post-infective viral proteases HOECHST AG (DE) 1991-04-10 CN disclosed
US-4023926-A Diaminobenzoquinones in hair dye compositions SOCIETE ANONYME DITE: L'OREAL (FR) 1977-05-17 US disclosed