SCHEMBL57392

SCHEMBL57392

C[C](C)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.55
CES2 O00748 1/20 0.55
AKR1B1 P15121 1/20 0.55
TSHR P16473 2/20 0.48
TP53 P04637 1/20 0.48
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CALM1 P0DP23 1/20 0.45
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
NOS2 P35228 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CTBP2 P56545 1/20 0.43
EPHX2 P34913 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
SCHEMBL28774551 0.97 CES1 (0.52) CES1CES2AKR1B1TSHRTP53
SCHEMBL9535331 0.90 LMNA (0.57) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL8781892 0.85 LMNA (0.61) TSHRALDH1A1MEN1KMT2A
SCHEMBL66721 0.82 CES1 (0.55) CES1CES2AKR1B1TSHRTP53
SCHEMBL2792481 0.82 CES1 (0.55) CES1CES2AKR1B1TSHRTP53
SCHEMBL9252738 0.79 LTA4H (0.61) TSHREPHX2
Benzene SCHEMBL7058395 0.78 CES1 (0.64) CES1CES2AKR1B1TSHRALDH1A1
Benzene SCHEMBL3421936 0.78 CES1 (0.64) CES1CES2AKR1B1TSHRALDH1A1
Benzene SCHEMBL10503945 0.78 CES1 (0.64) CES1CES2AKR1B1TSHRALDH1A1
SCHEMBL17916186 0.78 CES1 (0.50) CES1CES2AKR1B1TSHRTP53

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

Appears in 5570 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112601669-B Tire with a composition comprising an ethylene-rich elastomer, a peroxide and a specific acrylate derivative 米其林集团总公司 2022-12-16 CN claimed
CN-111386288-B Catalyst for olefin polymerization and process for producing olefin polymer containing polar group 国立大学法人东京大学 2022-11-01 CN claimed
US-11352453-B2 Catalyst for olefin polymerization and production method for polar group-containing olefin-based polymers THE UNIVERSITY OF TOKYO (JP) 2022-06-07 US claimed
US-11312722-B2 Hsp90 inhibitors and uses thereof TRUSTEES OF BOSTON UNIVERSITY (US) 2022-04-26 US claimed
CN-109694368-B Indolocarbazole tetraphthalene compounds 北京夏禾科技有限公司 2021-11-23 CN claimed
US-20210338706-A1 ADENOSINE ANALOG AND ITS USE IN REGULATING THE CIRCADIAN CLOCK NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-11-04 US claimed
US-20210214644-A1 PERFUME PRECURSOR TAKASAGO INTERNATIONAL CORPORATION (JP) 2021-07-15 US claimed
EP-3840960-A1 TYRE HAVING A COMPOSITION COMPRISING AN ETHYLENE-RICH ELASTOMER, A PEROXIDE AND A SPECIFIC ACRYLATE DERIVATIVE COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) 2021-06-30 EP claimed
CN-112601669-A Tire with a composition comprising an ethylene-rich elastomer, a peroxide and a specific acrylate derivative 米其林集团总公司 2021-04-02 CN claimed
EP-3790857-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2021-03-17 EP claimed
EP-0109142-A2 Peptide and pseudopeptide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-05-23 EP claimed
EP-0026298-B1 METHOD FOR PROMOTING GROWTH AND REDUCING FAT IN ANIMALS USING PHENYLETHANOLAMINE DERIVATIVES AMERICAN CYANAMID COMPANY (US) 1984-04-18 EP claimed
US-4407819-A ANIMAL GROWTH REGULATORS AMERICAN CYANAMID COMPANY (US) 1983-10-04 US claimed
US-4404224-A ANIMAL GROWTH REGULATORS AMERICAN CYANAMID COMPANY (US) 1983-09-13 US claimed
US-4391804-A Imidazole derivatives and fungicidal composition containing the same HOKKO CHEMICAL INDUSTRY COMPANY, LTD. (JP) 1983-07-05 US claimed
EP-0080595-A1 Alkanesulfonanilide derivatives and pharmaceutically acceptable acid addition salts thereof AMERICAN CYANAMID COMPANY (US) 1983-06-08 EP claimed
EP-0049728-A2 Method for enhancing the growth rate of meat-producing animals and for improving the lean meat to fat ratio thereof AMERICAN CYANAMID COMPANY (US) 1982-04-21 EP claimed
US-4293717-A Process for preparing aldehydes and diols BAYER AKTIENGESELLSCHAFT (DE) 1981-10-06 US claimed
EP-0026298-A1 Method for promoting growth and reducing fat in animals using phenylethanolamine derivatives AMERICAN CYANAMID COMPANY (US) 1981-04-08 EP claimed
US-4258062-A ISOPRENALINE ANTAGONISTS EFFECTING HEART RATE AND BLOOD PRESSURE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1981-03-24 US claimed