SCHEMBL450037

SCHEMBL450037

CC(C#N)c1ccc(O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 14/20 0.61
ESR2 Q92731 13/20 0.61
PDCD1 Q15116 1/20 0.54
CD274 Q9NZQ7 1/20 0.54
ALDH1A1 P00352 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ACHE P22303 1/20 0.44
LMNA P02545 1/20 0.43
PGR P06401 1/20 0.43
CHRM2 P08172 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
AR P10275 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CHRM1 P11229 1/20 0.43

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
SCHEMBL6565095 0.87 ESR1 (0.43) ESR1ESR2PDCD1CD274ALDH1A1
SCHEMBL10533396 0.84 ESR1 (0.46) ESR1ESR2PDCD1CD274ALDH1A1
SCHEMBL955060 0.80 TYR (0.41) ESR1ESR2ALDH1A1CYP2C9LMNA
SCHEMBL9428117 0.80 ESR1 (0.46) ESR1ESR2PDCD1CD274ALDH1A1
SCHEMBL958687 0.78 ALDH1A1 (0.44) ESR1ESR2ALDH1A1ACHELMNA
SCHEMBL10706998 0.77 ESR1 (0.75) ESR1ESR2PDCD1CD274ALDH1A1
SCHEMBL14135698 0.77 ESR1 (0.68) ESR1ESR2PDCD1CD274ALDH1A1
Cyanate SCHEMBL4069262 0.76 ESR1 (0.76) ESR1ESR2PDCD1CD274ALDH1A1
SCHEMBL4145904 0.76 MEN1 (0.38) ESR1ESR2ALDH1A1CYP3A4MEN1
SCHEMBL4160843 0.76 ALOX5 (0.41) ESR1ESR2ALDH1A1CYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113527140-A Synthesis method of 2, 3-bis (4-hydroxyphenyl) propionitrile 石家庄圣泰化工有限公司 2021-10-22 CN claimed
US-7109274-B2 Polyarylate compositions GENERAL ELECTRIC COMPANY (US) 2006-09-19 US claimed
JP-3271280-A None JP disclosed
CN-119264366-A Halogen-free intrinsic flame-retardant waterborne polyurethane material and preparation method thereof 中原工学院 2025-01-07 CN disclosed
CN-113527140-A Synthesis method of 2, 3-bis (4-hydroxyphenyl) propionitrile 石家庄圣泰化工有限公司 2021-10-22 CN disclosed
CN-113527140-A Synthesis method of 2, 3-bis (4-hydroxyphenyl) propionitrile 石家庄圣泰化工有限公司 2021-10-22 CN disclosed
CN-113527140-A Synthesis method of 2, 3-bis (4-hydroxyphenyl) propionitrile 石家庄圣泰化工有限公司 2021-10-22 CN disclosed
WO-2021116820-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF BENOXAPROFEN AUROBINDO PHARMA LIMITED (IN) 2021-06-17 WO disclosed
CN-111566206-A Derivation of somatotropin cells from stem cells and uses thereof 纪念斯隆-凯特琳癌症中心 2020-08-21 CN disclosed
US-9512437-B2 Genetic mutations that disrupt dhurrin production in sorghum PURDUE RESEARCH FOUNDATION (US) 2016-12-06 US disclosed
US-9289752-B2 Catalyst for reacting carboxylic acid nitriles EVONIK RÖHM GMBH (DE) 2016-03-22 US disclosed
EP-0485173-A2 Esters and amides of substituted fused ring phenyl acetic acids FGN, INC. (US) 1992-05-13 EP disclosed
JP-H03271280-A BETA-(P-HYDROXYPHENYL)PROPIOGUANAMINE AND PRODUCTION THEREOF HITACHI CHEM CO LTD 1991-12-03 JP disclosed
US-5059610-A QUINOLINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF LEUKOTRIENE D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-10-22 US disclosed
US-4920132-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed
US-4083847-A Transiently water-soluble disperse mono-azo dyes containing a diamino-methylene-carbacyl group CIBA-GEIGY CORPORATION (US) 1978-04-11 US disclosed
US-4066830-A OPTICAL BRIGHTENERS CIBA-GEIGY CORPORATION (US) 1978-01-03 US disclosed
US-4051166-A Araliphatic diisocyanates THE UPJOHN COMPANY (US) 1977-09-27 US disclosed
US-3987026-A POLYESTERS CIBA-GEIGY CORPORATION (US) 1976-10-19 US disclosed
US-3979506-A Radioactive compounds for labeling proteins PIERCE CHEMICAL COMPANY (US) 1976-09-07 US disclosed