SCHEMBL9664848

SCHEMBL9664848

CCCc1ccc(CCc2ccc(-c3ccc(CC)cc3)cc2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.40
ALOX5 P09917 2/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
MCL1 Q07820 1/20 0.38
RARB P10826 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
RARA P10276 1/20 0.38
RARG P13631 1/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAOB P27338 2/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
MAPT P10636 1/20 0.36
GFER P55789 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL9664336 0.95 ALOX5 (0.41) TAAR1ALOX5HTR2AHTR2CMCL1
SCHEMBL9663272 0.94 RARB (0.43) TAAR1ALOX5HTR2AHTR2CMCL1
SCHEMBL11996454 0.94 RARB (0.43) TAAR1ALOX5HTR2AHTR2CMCL1
SCHEMBL9796319 0.92 RARB (0.47) HTR2AHTR2CRARBRARARARG
SCHEMBL8990636 0.90 MAOB (0.47) TAAR1ALOX5HTR2AHTR2CMCL1
SCHEMBL12740161 0.90 ALOX5 (0.38) TAAR1ALOX5HTR2AHTR2CRARB
SCHEMBL9664166 0.89 RARB (0.46) ALOX5HTR2ARARBRARARARG
SCHEMBL9664954 0.88 RARB (0.47) TAAR1ALOX5HTR2AHTR2CMCL1
SCHEMBL9663375 0.88 RARB (0.51) HTR2AHTR2CRARBRARARARG
SCHEMBL8990876 0.88 MAOB (0.45) TAAR1ALOX5HTR2AHTR2CMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5093026-A Liquid crystals MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-03-03 US disclosed