SCHEMBL358550

SCHEMBL358550

Cc1ccc(C)c(CO)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
TRPA1 O75762 1/20 0.35
ATM Q13315 1/20 0.35
NQO1 P15559 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
TSHR P16473 1/20 0.32
TDP2 O95551 1/20 0.32
NSD2 O96028 1/20 0.32
HSP90AA1 P07900 1/20 0.32
PAX8 Q06710 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
HTR1D P28221 1/20 0.31

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
SCHEMBL30366318 0.85 GABRA1 (0.40) GABRA1GABRG2GABRB3CYP1A2TSHR
SCHEMBL3414808 0.85 GABRA1 (0.40) GABRA1GABRG2GABRB3CYP1A2TSHR
SCHEMBL30694360 0.82 PDCD1 (0.41) GABRA1GABRG2GABRB3CYP1A2CYP2A6
SCHEMBL15957639 0.82 PDCD1 (0.41) GABRA1GABRG2GABRB3CYP1A2CYP2A6
SCHEMBL29624183 0.82 PDCD1 (0.36) GABRA1GABRG2GABRB3TRPA1ATM
SCHEMBL4878065 0.82 TRPA1 (0.41) GABRA1GABRG2GABRB3TRPA1ATM
SCHEMBL205613 0.82 PDCD1 (0.36) GABRA1GABRG2GABRB3TRPA1ATM
SCHEMBL11134324 0.80 ALDH1A1 (0.34) GABRA1GABRG2GABRB3ALDH1A1MAPT
SCHEMBL11137568 0.80 ALDH1A1 (0.32) GABRA1GABRG2GABRB3ALDH1A1HPGD
SCHEMBL11137722 0.80 CYP3A4 (0.39) GABRA1GABRG2GABRB3TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113387055-B Film, method for producing film, and bag 住友化学株式会社 2024-06-07 CN disclosed
CN-117425653-A Method for producing bipyridine derivative, method for producing macrocyclic compound, method for producing metal complex containing macrocyclic compound as ligand, metal complex, electrode for air battery, and air battery 住友化学株式会社 2024-01-19 CN disclosed
US-11643533-B2 Film, method of producing film, and bag SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-05-09 US disclosed
CN-112638997-B Film and packaging container 住友化学株式会社 2023-04-28 CN disclosed
WO-2022249992-A1 PRODUCTION METHOD FOR BIPYRIDINE DERIVATIVE, PRODUCTION METHOD FOR MACROCYCLIC COMPOUND, PRODUCTION METHOD FOR METAL COMPLEX INCLUDING MACROCYCLIC COMPOUND AS LIGAND, METAL COMPLEX, ELECTRODE FOR AIR BATTERY, AND AIR BATTERY 住友化学株式会社 2022-12-01 WO disclosed
CN-110352213-B Film 住友化学株式会社 2022-09-09 CN disclosed
US-11149102-B2 Film SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-10-19 US disclosed
US-20210284829-A1 FILM, METHOD OF PRODUCING FILM, AND BAG SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-09-16 US disclosed
EP-3878896-A1 FILM, METHOD OF PRODUCING FILM, AND BAG SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2021-09-15 EP disclosed
CN-113387055-A Film, method for producing film, and bag 住友化学株式会社 2021-09-14 CN disclosed
EP-0852230-A1 TRANSITION METAL COMPLEXES, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMERS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-07-08 EP disclosed
EP-0842939-A1 TRANSITION METAL COMPLEX, PROCESS FOR THE PREPARATION THEREOF, POLYMERIZATION CATALYST FOR OLEFINS CONTAINING THE COMPLEX, AND PROCESS FOR PRODUCING OLEFIN POLYMERS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-05-20 EP disclosed
US-4656310-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1987-04-07 US disclosed
US-4532355-A Substituted triaryl phosphonium derivatives HOFFMANN-LA ROCHE INC. (US) 1985-07-30 US disclosed
US-4486588-A Cyclohexadiene carboxylate insecticide intermediates FMC CORPORATION (US) 1984-12-04 US disclosed
US-4375476-A MITICIDES FMC CORPORATION (US) 1983-03-01 US disclosed
US-4319048-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1982-03-09 US disclosed
US-4224244-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1980-09-23 US disclosed
US-4215215-A 9-Phenyl-nonate traene compounds HOFFMANN-LA ROCHE INC. (US) 1980-07-29 US disclosed
US-4105681-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1978-08-08 US disclosed