SCHEMBL52437

SCHEMBL52437

CCc1ccc(CCl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
CYP2A6 P11509 1/20 0.46
LPL P06858 1/20 0.46
LIPG Q9Y5X9 1/20 0.46
MGLL Q99685 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 2/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
CA2 P00918 3/20 0.42
CA1 P00915 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PLAU P00749 1/20 0.41

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
SCHEMBL7801043 0.97 TP53 (0.48) TP53TSHRMAPK1ATMTDP1
Benzene SCHEMBL28650497 0.94 TP53 (0.60) TP53TSHRMAPK1ATMTDP1
SCHEMBL3599879 0.92 NPC1 (0.48) TP53TSHRMAPK1ATMTDP1
SCHEMBL9505702 0.85 SMN1; SMN2 (0.49) TP53TSHRMAPK1ATMTDP1
SCHEMBL97582 0.83 CA1 (0.52) TSHRTDP1TAAR1MGLLALDH1A1
SCHEMBL36295 0.83 TP53 (0.67) TP53TSHRMAPK1ATMTDP1
SCHEMBL10731985 0.82 ALDH1A1 (0.57) TDP1ALDH1A1POLBNPC1GAA
SCHEMBL15201702 0.80 TP53 (0.50) TP53TSHRMAPK1ATMTDP1
SCHEMBL31498555 0.79 TP53 (0.62) TP53TSHRMAPK1ATMTDP1
Hydrogen Sulfide SCHEMBL29290777 0.79 TP53 (0.62) TP53TSHRMAPK1ATMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4347735-A1 DURABLE GRAPHENE EXTERIOR PLASTIC COATING COMPOSITION Illinois Tool Works Inc. (US) 2024-04-10 EP claimed
CN-117777411-A Crosslinked methylene aromatic hydrocarbon high polymer and synthesis method thereof 乐山师范学院 2024-03-29 CN claimed
CN-113683480-B Preparation method of 4-ethylbenzyl chloride 山东三牧新材料科技有限公司 2024-02-27 CN claimed
WO-2022256216-A1 DURABLE GRAPHENE EXTERIOR PLASTIC COATING COMPOSITION ILLINOIS TOOL WORKS INC. (US) 2022-12-08 WO claimed
US-20220389187-A1 DURABLE GRAPHENE EXTERIOR PLASTIC COATING COMPOSITION ILLINOIS TOOL WORKS INC. (US) 2022-12-08 US claimed
CN-113683480-A Preparation method of 4-ethyl benzyl chloride 山东三牧新材料科技有限公司 2021-11-23 CN claimed
CN-104725393-B Bergenin derivative as well as preparation method and application thereof 新乡医学院 2017-02-22 CN claimed
CN-104557844-B Derivative of unique gourmet powder A and preparation method and application thereof 新乡医学院 2017-02-22 CN claimed
CN-104250231-B For the synthesis of the benzotriazole ionic liquid of toluencediamine base alkyl formate SHAANXI COAL AND CHEMICAL TECHNOLOGY DEVELOPMENT CENTER CO., LTD. (CN) 2016-04-06 CN claimed
CN-104725393-A Bergenin derivative as well as preparation method and application thereof UNIV XINXIANG MEDICAL 2015-06-24 CN claimed
CN-104557844-A Derivative of unique gourmet powder A and preparation method and application thereof UNIV XINXIANG MEDICAL 2015-04-29 CN claimed
CN-104250231-A Benzotriazole ionic liquid for synthesizing methylbenzene diamido-formic alkyl ester SHAANXI COAL AND CHEMICAL TECHNOLOGY DEV CT CO LTD 2014-12-31 CN claimed
CN-103980088-A Method of preparing floralozone intermediate SUQIAN KESI CHEM CO LTD 2014-08-13 CN claimed
CN-103965031-A Preparation method of floralozone SUQIAN KESI CHEM CO LTD 2014-08-06 CN claimed
US-5565602-A REACTING A HYDROCARBYL CHLORIDE WITH A CARBONYL SULFIDE AND AMINE IN PRESENCE OF A BASIC CATALYST PHILLIPS PETROLEUM COMPANY (US) 1996-10-15 US claimed
EP-0034430-B1 PROCESS FOR PREPARING ARYLACETALDEHYDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-10-05 EP claimed
US-4338467-A IN THE PRESENCE OF A COBALT CATALYST AND A NITRILE SOLVENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-07-06 US claimed
EP-0034430-A1 Process for preparing arylacetaldehydes SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-08-26 EP claimed
US-4248779-A REACTING CARBONYL SULFIDE WITH A SECONDARY AMINE AND REACTING THE AMINE SALT WITH A HALOHYDROCARBON IHARA CHEMICAL INDUSTRY COMPANY, LIMITED (JP) 1981-02-03 US claimed
US-4045501-A DEHYDROBROMINATING CHLOROMETHYL(1-BROMOETHYL) BENZENES WITH AN AMINE ACCEPTOR EASTMAN KODAK COMPANY (US) 1977-08-30 US claimed