SCHEMBL8990612

SCHEMBL8990612

CCCCCc1ccc(-c2ccc(CCc3ccc(OC(F)F)cc3)cc2)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.53
RARA P10276 1/20 0.41
RARG P13631 1/20 0.41
S1PR1 P21453 3/20 0.41
S1PR3 Q99500 2/20 0.41
PPARA Q07869 2/20 0.40
BACE1 P56817 2/20 0.40
DAO P14920 1/20 0.39
HTR2A P28223 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLCO1B3 Q9NPD5 1/20 0.38
SLCO1B1 Q9Y6L6 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
SCHEMBL9223504 0.96 RARB (0.51) RARBRARARARGS1PR1S1PR3
SCHEMBL9219177 0.95 RARB (0.53) RARBRARARARGS1PR1S1PR3
SCHEMBL9220443 0.95 RARB (0.53) RARBRARARARGS1PR1S1PR3
SCHEMBL9225654 0.95 RARB (0.53) RARBRARARARGS1PR1S1PR3
SCHEMBL9223682 0.95 RARB (0.53) RARBRARARARGS1PR1S1PR3
SCHEMBL9227228 0.95 RARB (0.53) RARBRARARARGS1PR1S1PR3
SCHEMBL9227552 0.93 RARB (0.53) RARBRARARARGS1PR1S1PR3
SCHEMBL9227591 0.93 RARB (0.53) RARBRARARARGS1PR1S1PR3
SCHEMBL9226880 0.92 RARB (0.46) RARBRARARARGS1PR1S1PR3
SCHEMBL9228145 0.91 RARB (0.55) RARBRARARARGS1PR1S1PR3

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 2 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