SCHEMBL8990655

SCHEMBL8990655

CCCc1ccc(CCc2ccc(-c3ccc(OC(F)(F)F)cc3F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.53
ALOX5AP P20292 1/20 0.46
FEN1 P39748 1/20 0.46
S1PR1 P21453 2/20 0.43
S1PR3 Q99500 2/20 0.43
RARB P10826 1/20 0.42
FFAR4 Q5NUL3 5/20 0.41
FFAR1 O14842 2/20 0.41
GPR3 P46089 4/20 0.40
PDE2A O00408 1/20 0.39
DAO P14920 1/20 0.39
CHRM5 P08912 2/20 0.39
GPR84 Q9NQS5 1/20 0.38

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
SCHEMBL9751649 0.95 GRM2 (0.49) GRM2ALOX5APFEN1S1PR1S1PR3
SCHEMBL8990631 0.93 GRM2 (0.47) GRM2ALOX5APFEN1S1PR1S1PR3
SCHEMBL9737693 0.93 GRM2 (0.47) GRM2ALOX5APFEN1S1PR1S1PR3
SCHEMBL9227374 0.90 GRM2 (0.47) GRM2ALOX5APFEN1S1PR1S1PR3
SCHEMBL9221140 0.90 GRM2 (0.48) GRM2ALOX5APFEN1S1PR1S1PR3
SCHEMBL9225207 0.89 GRM2 (0.47) GRM2ALOX5APFEN1S1PR1S1PR3
SCHEMBL3173929 0.86 ALOX5AP (0.45) GRM2ALOX5APFEN1S1PR1S1PR3
SCHEMBL3163945 0.86 GRM2 (0.46) GRM2ALOX5APFEN1S1PR1S1PR3
SCHEMBL3157988 0.85 GRM2 (0.45) GRM2ALOX5APFEN1FFAR4FFAR1
SCHEMBL8990674 0.84 RARB (0.53) GRM2ALOX5APFEN1S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5496499-A Biphenylethanes and liquid-crystalline phase MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-03-05 US disclosed
EP-0429558-B1 DIPHENYLYLETHANES AND LIQUID CRYSTALLINE PHASE MERCK PATENT GMBH (DE) 1994-03-30 EP disclosed
WO-1990008757-A1 DIPHENYLYLETHANES AND LIQUID CRYSTALLINE PHASE MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-08-09 WO disclosed