SCHEMBL584735

SCHEMBL584735

CC(=CC(C=CC#N)=Cc1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 5/20 0.36
RAB9A P51151 5/20 0.36
MAPK1 P28482 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AKR1C3 P42330 1/20 0.35
NPC1 O15118 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AKR1C1 Q04828 1/20 0.34
MCL1 Q07820 1/20 0.34
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
POLB P06746 2/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 1/20 0.33
DEGS1 O15121 1/20 0.33
PKM P14618 2/20 0.33

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
SCHEMBL3269497 0.83 ALDH1A1 (0.40) ALDH1A1TSHRMAPTRAB9AMAPK1
SCHEMBL6061065 0.82 MCL1 (0.43) ALDH1A1TSHRMAPTRAB9AMAPK1
SCHEMBL364235 0.81 AKR1C3 (0.53) ALDH1A1TSHRMAPTRAB9AAKR1C3
SCHEMBL6910891 0.80 ALDH1A1 (0.40) ALDH1A1TSHRMAPTRAB9AMAPK1
SCHEMBL564797 0.77 ALDH1A1 (0.40) ALDH1A1TSHRMAPTRAB9AAKR1C3
SCHEMBL5481273 0.77 ALDH1A1 (0.53) ALDH1A1TSHRMAPTRAB9AAKR1C3
SCHEMBL152966 0.77 ALDH1A1 (0.53) ALDH1A1TSHRMAPTRAB9AAKR1C3
SCHEMBL11269076 0.76 MTNR1A (0.33) ALDH1A1MAPTRAB9AMAPK1L3MBTL1
SCHEMBL8164378 0.76 TDP1 (0.42) ALDH1A1MAPTRAB9AMAPK1L3MBTL1
SCHEMBL9960390 0.76 MCL1 (0.39) ALDH1A1TSHRMAPTRAB9AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2275489-B1 RUBBERY POLYMER-CONTAINING RESIN COMPOSITION, CURED PRODUCT THEREOF, AND PRODUCTION METHOD THEREOF KANEKA CORP (JP) 2019-11-13 EP disclosed
CN-105452368-B Soft thermoplastic resin combination 株式会社钟化 2019-05-03 CN disclosed
CN-105452367-B Soft thermoplastic resin combination 株式会社钟化 2018-04-27 CN disclosed
CN-105504768-A Polyurethane aryl ether composition KINGFA SCIENCE & TECHNOLOGY CO 2016-04-20 CN disclosed
US-8278388-B2 Alicyclic epoxy resin composition, cured product thereof, production method thereof, and rubbery polymer-containing resin composition KANEKA CORPORATION (JP) 2012-10-02 US disclosed
EP-1832613-B9 GRAFT COPOLYMER, METHOD FOR PRODUCING SAME AND RESIN COMPOSITION CONTAINING SUCH GRAFT COPOLYMER KANEKA CORP (JP) 2012-08-29 EP disclosed
EP-1832613-B1 GRAFT COPOLYMER, METHOD FOR PRODUCING SAME AND RESIN COMPOSITION CONTAINING SUCH GRAFT COPOLYMER KANEKA CORP (JP) 2012-02-15 EP disclosed
EP-1964856-B1 POLYMER PARTICLES, PROCESS FOR PRODUCTION THEREOF, RESIN COMPOSITIONS CONTAINING THE PARTICLES, AND MOLDINGS KANEKA CORP (JP) 2011-05-25 EP disclosed
US-20110015347-A1 ALICYCLIC EPOXY RESIN COMPOSITION, CURED PRODUCT THEREOF, PRODUCTION METHOD THEREOF, AND RUBBERY POLYMER-CONTAINING RESIN COMPOSITION KANEKA CORPORATION (JP) 2011-01-20 US disclosed
EP-2275489-A1 ALICYCLIC EPOXY RESIN COMPOSITION, CURED PRODUCT THEREOF, PRODUCTION METHOD THEREOF, AND RUBBERY POLYMER-CONTAINING RESIN COMPOSITION Kaneka Corporation (JP) 2011-01-19 EP disclosed
EP-0135802-B1 THERMOPLASTIC MOULDING COMPOUND BASF Aktiengesellschaft (DE) 1988-11-17 EP disclosed
US-4703090-A TWO STAGE GRAFTING OF STYRENE AND ACRYLONITRILE ONTO POLYBUTADIENE ENICHEM POLIMERI S.P.A. (IT) 1987-10-27 US disclosed
EP-0186926-A2 Method for the preparation of graft copolymers by emulsion copolymerization MONTEDIPE S.r.l. (IT) 1986-07-09 EP disclosed
EP-0177874-A2 Self-extinguishing thermoplastic molding compound BASF Aktiengesellschaft (DE) 1986-04-16 EP disclosed
EP-0054845-A2 Mineral filled polyphenylene ether compositions having improved properties GENERAL ELECTRIC COMPANY (US) 1982-06-30 EP disclosed
WO-1982002050-A1 MINERAL FILLED POLYPHENYLENE ETHER COMPOSITIONS HAVING IMPROVED PROPERTIES GEN ELECTRIC (US) 1982-06-24 WO disclosed
US-4128603-A HIGH IMPACT STRENGTH THERMOPLASTIC GENERAL ELECTRIC COMPANY (US) 1978-12-05 US disclosed
US-4128602-A HIGH IMPACT STRENGTH THERMOPLASTIC GENERAL ELECTRIC COMPANY (US) 1978-12-05 US disclosed
US-4128604-A A POLYBUTADIENE RUBBER MODIFIED POLYSTYRENE GENERAL ELECTRIC COMPANY (US) 1978-12-05 US disclosed
US-3976725-A POLYBLEND OF UNGRAFTED PARTICULATE RUBBER DISPERSED IN POLYSTYRENE MATRIX GENERAL ELECTRIC COMPANY (US) 1976-08-24 US disclosed