SCHEMBL8375680

SCHEMBL8375680

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.61
RARA P10276 1/20 0.48
RARG P13631 1/20 0.48
HTR2A P28223 1/20 0.45
FDFT1 P37268 1/20 0.43
HSD17B10 Q99714 2/20 0.42
TSHR P16473 1/20 0.42
GPR3 P46089 1/20 0.41
MAOB P27338 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
ESR1 P03372 1/20 0.41
SHBG P04278 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
HSPD1 P10809 1/20 0.41
ADRB3 P13945 1/20 0.41

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
SCHEMBL8990850 0.98 RARB (0.64) RARBRARARARGHTR2AHSD17B10
SCHEMBL8990707 0.95 RARB (0.56) RARBRARARARGFDFT1MAOB
SCHEMBL9665499 0.95 RARB (0.66) RARBRARARARGHTR2AHSD17B10
SCHEMBL9664318 0.95 RARB (0.66) RARBRARARARGHTR2AHSD17B10
SCHEMBL9664341 0.94 RARB (0.64) RARBRARARARGHTR2AHSD17B10
SCHEMBL9662785 0.94 RARB (0.68) RARBRARARARGHTR2AHSD17B10
SCHEMBL9663360 0.94 RARB (0.68) RARBRARARARGHTR2AHSD17B10
SCHEMBL9662941 0.94 RARB (0.68) RARBRARARARGHTR2AHSD17B10
SCHEMBL9664347 0.94 RARB (0.64) RARBRARARARGHTR2AHSD17B10
SCHEMBL9664210 0.94 RARB (0.68) RARBRARARARGHTR2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5958290-A ELECTROOPTICAL APPARATUS WITH DIELECTRIC LIQUID CRYSTALS FOR RADIATION TRANSPARENT MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-09-28 US disclosed
EP-0452460-B2 ELECTRO-OPTICAL LIQUID CRYSTAL SYSTEM MERCK PATENT GMBH (DE) 1999-08-11 EP disclosed
US-5496499-A Biphenylethanes and liquid-crystalline phase MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-03-05 US disclosed
EP-0452460-B1 ELECTRO-OPTICAL LIQUID CRYSTAL SYSTEM MERCK PATENT GMBH (DE) 1995-01-18 EP disclosed
US-5344587-A Nitriles MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-09-06 US disclosed
EP-0429558-B1 DIPHENYLYLETHANES AND LIQUID CRYSTALLINE PHASE MERCK PATENT GMBH (DE) 1994-03-30 EP disclosed
EP-0452460-A1 ELECTRO-OPTICAL LIQUID CRYSTAL SYSTEM. MERCK PATENT GMBH (DE) 1991-10-23 EP disclosed
WO-1991005029-A1 ELECTRO-OPTICAL LIQUID CRYSTAL SYSTEM MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-04-18 WO disclosed
WO-1990008757-A1 DIPHENYLYLETHANES AND LIQUID CRYSTALLINE PHASE MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-08-09 WO disclosed