SCHEMBL11765843

SCHEMBL11765843

CC1c2ccccc2CC1c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.45
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
HRH3 Q9Y5N1 2/20 0.45
PRCP P42785 2/20 0.40
OPRM1 P35372 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
KDM1A O60341 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
SCHEMBL14555195 0.89 SIGMAR1 (0.42) SIGMAR1HTR2AHTR2CHTR2BHRH3
SCHEMBL14555192 0.77 CYP11B2 (0.43) SIGMAR1HTR2AHTR2CHTR2BHRH3
SCHEMBL2822825 0.76 PARP3 (0.46) SIGMAR1HTR2AHTR2CHTR2BHRH3
SCHEMBL23278853 0.76 PARP3 (0.43) SIGMAR1HTR2AHTR2CHTR2BMAOB
SCHEMBL14555191 0.75 PRCP (0.42) HTR2CPRCPSLC6A2SLC6A3MAOA
SCHEMBL31124279 0.74 OPRM1 (0.44) PRCPOPRM1KDM1A
SCHEMBL410055 0.74 OPRM1 (0.44) PRCPOPRM1KDM1A
SCHEMBL21302076 0.72 SIGMAR1 (0.39) SIGMAR1HTR2AHTR2CHTR2BHRH3
SCHEMBL7912606 0.72 SIGMAR1 (0.49) SIGMAR1HTR2AHTR2CHTR2BHRH3
SCHEMBL29127675 0.72 SIGMAR1 (0.41) SIGMAR1HTR2AHTR2CHTR2BHRH3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3939095-A PHENYLINDANES, ADDITION COPOLYMERS BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) 1976-02-17 US claimed
CN-106661140-B Manufacturing method, conjugated diolefin polymer, rubber composition and the tire of conjugated diolefin polymer 株式会社普利司通 2019-04-19 CN disclosed
CN-106661140-A Method for manufacturing conjugated diene polymer, conjugated diene polymer, rubber composition, and tire 株式会社普利司通 2017-05-10 CN disclosed
CN-106459310-A Multi-component copolymer, rubber composition, and tire 株式会社普利司通 2017-02-22 CN disclosed
US-3939095-A PHENYLINDANES, ADDITION COPOLYMERS BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) 1976-02-17 US disclosed