SCHEMBL1774296

SCHEMBL1774296

CCc1ccccc1C(C)C=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.37
GABRB2 P47870 4/20 0.37
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 1/20 0.35
MGLL Q99685 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL8063305 0.86 ADRA2A (0.41) TSHR
SCHEMBL8228214 0.84 GABRA1 (0.44) GABRA1GABRB2TSHRMEN1KMT2A
SCHEMBL11346927 0.84 PNMT (0.38) TSHRSLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL4950480 0.84 GABRA1 (0.44) GABRA1GABRB2TSHRMEN1KMT2A
SCHEMBL29573380 0.83 CYSLTR2 (0.44) CYP3A4CYP2D6
SCHEMBL8723703 0.83 CYSLTR2 (0.44) CYP3A4CYP2D6
SCHEMBL27725414 0.81 CHRM2 (0.34)
SCHEMBL11358599 0.81 ADRA2C (0.45) GABRA1GABRB2TSHRCYP2D6SLC6A2
SCHEMBL9717390 0.79 TSHR (0.33) GABRA1GABRB2TSHRHTTMEN1
SCHEMBL28555953 0.78 HSPA5 (0.53) GABRA1GABRB2TSHRCYP2D6TAAR1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3166579-A1 COMPACT OR FREE ANHYDROUS POWDER BASED ON PARTICLES ENCAPSULATING A BENEFICIAL AGENT L'Oréal (FR) 2017-05-17 EP disclosed
WO-2016005248-A1 COMPACT OR FREE ANHYDROUS POWDER BASED ON PARTICLES ENCAPSULATING A BENEFICIAL AGENT L'OREAL (FR) 2016-01-14 WO disclosed
US-8754028-B2 Perfume systems THE PROCTER & GAMBLE COMPANY (US) 2014-06-17 US disclosed
US-8357649-B2 Delivery particle THE PROCTER & GAMBLE COMPANY (US) 2013-01-22 US disclosed
US-20110107524-A1 DELIVERY PARTICLE THE PROCTER & GAMBLE COMPANY 2011-05-12 US disclosed
US-20100152083-A1 Perfume Systems PROCTER & GAMBLE COMPANY, THE 2010-06-17 US disclosed
CN-101448798-A Compounds and methods for modulating FXR LILLY CO ELI (US) 2009-06-03 CN disclosed
CN-100424100-C Beta-ketimine vanadium olefinic polymerization catalyst, and its preparing method and use CHANGCHUN APPLIED CHEMISTRY (CN) 2008-10-08 CN disclosed
CN-100395234-C Novel CB1 receptor inverse agonists HOFFMANN LA ROCHE (CH) 2008-06-18 CN disclosed
CN-101198594-A Process for the production of intermadiates for the preparation of tricyclic benzimidazoles NYCOMED GMBH (DE) 2008-06-11 CN disclosed
CN-101012193-A Novel CB 1 receptour inverse agonists HOFFMANN LA ROCHE (CH) 2007-08-08 CN disclosed
CN-1850869-A Beta-ketimine vanadium olefinic polymerization catalyst, and its preparing method and use CHANGCHUN APPLIED CHEMISTRY (CN) 2006-10-25 CN disclosed
CN-1735593-A Novel CB1 receptor inverse agonists HOFFMANN LA ROCHE (CH) 2006-02-15 CN disclosed
US-5677299-A VASOPRESSIN OR OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1997-10-14 US disclosed
US-5498609-A Benzoazepinyl compounds as oxytocin and vasopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1996-03-12 US disclosed
EP-0612319-A1 BENZOHETEROCYCLIC COMPOUNDS AS OXYTOCIN AND VASOPRESSIN ANTAGONISTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-08-31 EP disclosed
CN-1090576-A Benzoheterocyclic compounds OTSUKA PHARMA CO LTD (JP) 1994-08-10 CN disclosed
WO-1994004525-A1 BENZOHETEROCYCLIC COMPOUNDS AS OXYTOCIN AND VASOPRESSIN ANTAGONISTS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-03-03 WO disclosed