SCHEMBL7764845

SCHEMBL7764845

CCCCCc1ccc(CCc2ccc(-c3ccc(Cl)c(F)c3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.59
RARA P10276 2/20 0.59
RARG P13631 1/20 0.59
HRH3 Q9Y5N1 1/20 0.47
HSD17B10 Q99714 2/20 0.46
TSHR P16473 1/20 0.46
HTR2A P28223 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
MTOR P42345 1/20 0.45
KMT2A Q03164 1/20 0.45
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
HSD11B1 P28845 1/20 0.43
ESR1 P03372 2/20 0.42
ADRA2A P08913 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
TACR2 P21452 2/20 0.42
SLC6A2 P23975 2/20 0.42

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
SCHEMBL8990714 0.95 RARB (0.54) RARBRARARARGHRH3HSD17B10
SCHEMBL7772878 0.89 RARB (0.46) RARBRARARARGHSD17B10HTR2A
SCHEMBL3153559 0.88 RARB (0.51) RARBRARARARGHRH3HSD17B10
SCHEMBL3171811 0.87 RARB (0.53) RARBRARARARGHRH3HSD17B10
SCHEMBL3169010 0.87 RARB (0.53) RARBRARARARGHRH3HSD17B10
SCHEMBL8857916 0.87 RARB (0.47) RARBRARARARGHSD17B10HTR2A
SCHEMBL30466107 0.87 RARB (0.47) RARBRARARARGHSD17B10HTR2A
SCHEMBL3163099 0.87 RARB (0.49) RARBRARARARGHRH3HTR2A
SCHEMBL8448529 0.87 RARB (0.50) RARBRARARARGHRH3HSD17B10
SCHEMBL8448525 0.87 RARB (0.50) RARBRARARARGHRH3HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0700983-B1 Electrooptical liquid crystal system MERCK PATENT GMBH (DE) 2001-07-11 EP disclosed
EP-0511487-B1 Electro-optical liquid crystal system MERCK PATENT GMBH (DE) 1996-05-29 EP disclosed
EP-0700983-A2 Electrooptical liquid crystal system MERCK PATENT GmbH (DE) 1996-03-13 EP disclosed
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
EP-0511487-A1 Electro-optical liquid crystal system MERCK PATENT GmbH (DE) 1992-11-04 EP disclosed
WO-1990008757-A1 DIPHENYLYLETHANES AND LIQUID CRYSTALLINE PHASE MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-08-09 WO disclosed