SCHEMBL598593

SCHEMBL598593

CCc1ccc(C)cc1CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.44
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CYP1A2 P05177 3/20 0.43
CYP2A6 P11509 2/20 0.43
AMY1A P0DUB6 1/20 0.41
SRC P12931 1/20 0.41
ACHE P22303 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NQO1 P15559 1/20 0.39
POR P16435 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39

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
Methane SCHEMBL27570896 0.97 TAAR1 (0.43) TAAR1MAPTRXFP1CYP1A2CYP2A6
SCHEMBL12509537 0.88 AMY1A (0.39) TAAR1MAPTRXFP1CYP1A2AMY1A
SCHEMBL24073162 0.88 IDO1 (0.41) TAAR1MAPTRXFP1CYP1A2CYP2A6
SCHEMBL28480935 0.88 TAAR1 (0.42) TAAR1MAPTRXFP1CYP1A2CYP2A6
SCHEMBL9629541 0.88 TAAR1 (0.42) TAAR1MAPTRXFP1CYP1A2CYP2A6
SCHEMBL10822849 0.85 TAAR1 (0.43) TAAR1MAPTRXFP1CYP1A2CYP2A6
SCHEMBL12959262 0.85 TAAR1 (0.48) TAAR1MAPTRXFP1CYP1A2CYP2A6
SCHEMBL12464215 0.85 MAPT (0.39) TAAR1MAPTRXFP1CYP1A2CYP2A6
SCHEMBL12345571 0.85 AMY1A (0.41) TAAR1MAPTRXFP1CYP1A2AMY1A
SCHEMBL10225859 0.84 SRC (0.41) TAAR1MAPTRXFP1CYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108794505-A A kind of preparation method of benzheterocycle 南京齐正化学有限公司 2018-11-13 CN claimed
CN-104418763-B A kind of method that aryl amide is prepared in aryl carboxylic acid amination 江苏磐希化工有限公司 2016-09-07 CN claimed
EP-0412215-B1 Adsorptive separation of para-xylene. UOP INC (US) 1994-07-13 EP claimed
EP-0412215-A1 Adsorptive separation of para-xylene. UOP (US) 1991-02-13 EP claimed
US-3962357-A FROM SUBSTITUTED ETHYLTOLUENE, CONTINUOUS, SINGLE STEP ROHM AND HAAS COMPANY (US) 1976-06-08 US claimed
EP-3054937-B1 SPRAY DRY FORMULATIONS PULMOKINE INC (US) 2023-07-26 EP disclosed
CN-109134187-B A kind of technique for the bromobenzene synthesizing high steric hindrance 浙江中山化工集团股份有限公司 2019-09-20 CN disclosed
CN-110249004-A Polyimide precursor composition 东京应化工业株式会社 2019-09-17 CN disclosed
CN-109134187-A A kind of new process for the bromobenzene synthesizing high steric hindrance 浙江中山化工集团股份有限公司 2019-01-04 CN disclosed
CN-108794505-A A kind of preparation method of benzheterocycle 南京齐正化学有限公司 2018-11-13 CN disclosed
CN-108794505-A A kind of preparation method of benzheterocycle 南京齐正化学有限公司 2018-11-13 CN disclosed
CN-108456141-A A kind of preparation method of 2,6- diethyl -4- methylanilines 双阳化工淮安有限公司 2018-08-28 CN disclosed
WO-2002002524-A1 PYRROLE DERIVATIVES FOR TREATING AIDS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-10 WO disclosed
CN-1028515-C Method for separating 2, 6-or 3, 5-diethyltoluene from mixture of diethyltoluene isomers UOP INC (US) 1995-05-24 CN disclosed
CN-1058012-A Chromatographic separation process for recovering 2, 6-diethyltoluene or 3, 5-diethyltoluene from a mixture containing other Diethyltoluene (DET) isomers UOP INC (US) 1992-01-22 CN disclosed
EP-0027940-B2 PROCESS FOR PREPARING URETHANES BAYER AG (DE) 1986-12-30 EP disclosed
US-4538003-A TREATMENT WITH MAGNESIUM OR ZINC ORGANOMETALLIC REAGENTS IN PRESENE OF A NICKEL BIDENTATE OR TRIDENTATE PHOSPHOROUS LIGAND E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-08-27 US disclosed
US-4460384-A Process for separating carbon monoxide from a gas mixture NIPPON STEEL CORPORATION (JP) 1984-07-17 US disclosed
US-3962357-A FROM SUBSTITUTED ETHYLTOLUENE, CONTINUOUS, SINGLE STEP ROHM AND HAAS COMPANY (US) 1976-06-08 US disclosed
US-3941786-A Process for the production of 4-hydroxy-6-hydroxymethylpyrimidine LONZA LTD. (CH) 1976-03-02 US disclosed