SCHEMBL8990739

SCHEMBL8990739

CCCCCc1ccc(CCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.47
RARB P10826 8/20 0.46
RARA P10276 2/20 0.46
RARG P13631 1/20 0.46
S1PR1 P21453 1/20 0.43
FDFT1 P37268 2/20 0.41
PLK1 P53350 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
MTOR P42345 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR2A P28223 1/20 0.40
FAAH O00519 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
SCHEMBL8990724 0.91 MAOB (0.50) MAOBFDFT1TAAR1
SCHEMBL9663375 0.88 RARB (0.51) RARBRARARARGS1PR1TSHR
SCHEMBL8990742 0.86 RARB (0.50) MAOBRARBRARARARGS1PR1
SCHEMBL8990601 0.86 MAOB (0.56) MAOBRARBRARARARGFDFT1
SCHEMBL9398851 0.86 HTR2A (0.52) RARBRARARARGS1PR1HSD17B10
SCHEMBL9399089 0.86 HTR2A (0.52) RARBRARARARGS1PR1HSD17B10
SCHEMBL8990710 0.85 RARB (0.56) MAOBRARBRARARARGPLK1
SCHEMBL8990665 0.85 S1PR1 (0.44) RARBRARARARGS1PR1TSHR
SCHEMBL17108417 0.84 MAOB (0.58) MAOBRARBRARARARGFDFT1
SCHEMBL10382748 0.84 MAOB (0.58) MAOBRARBRARARARGFDFT1

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