SCHEMBL8990952

SCHEMBL8990952

CCCCc1ccc(CCc2ccc(-c3ccc(OC(F)F)cc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.46
DRD1 P21728 1/20 0.45
DAO P14920 1/20 0.44
PPARA Q07869 1/20 0.43
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
BACE1 P56817 1/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
RARA P10276 1/20 0.41
MTOR P42345 1/20 0.41
KMT2A Q03164 1/20 0.41
FDFT1 P37268 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD11B1 P28845 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL8990685 1.00 RARB (0.46) RARBDRD1DAOPPARATSHR
SCHEMBL9061224 0.98 RARB (0.47) RARBDRD1DAOPPARATSHR
SCHEMBL8990772 0.95 PPARA (0.48) RARBDRD1DAOPPARATSHR
SCHEMBL9061594 0.94 HSD17B10 (0.50) RARBPPARATSHRHSD17B10MAPT
SCHEMBL9060272 0.94 HSD17B10 (0.50) RARBPPARATSHRHSD17B10MAPT
SCHEMBL9060759 0.94 HSD17B10 (0.50) RARBPPARATSHRHSD17B10MAPT
SCHEMBL9061890 0.94 HSD17B10 (0.50) RARBPPARATSHRHSD17B10MAPT
SCHEMBL9060268 0.94 HSD17B10 (0.50) RARBPPARATSHRHSD17B10MAPT
SCHEMBL9060970 0.93 PPARA (0.49) RARBDRD1PPARATSHRHSD17B10
SCHEMBL14378253 0.93 PPARA (0.47) DAOPPARAHSD17B10BACE1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5536442-A ELECTROOPTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-16 US disclosed
US-5496499-A Biphenylethanes and liquid-crystalline phase MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-03-05 US disclosed
US-5389292-A Liquid crystalline media having positive dielctric anisotropy, chemical, heat and radiation resistance, used as electro-optical displaying MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-14 US disclosed
EP-0429558-B1 DIPHENYLYLETHANES AND LIQUID CRYSTALLINE PHASE MERCK PATENT GMBH (DE) 1994-03-30 EP disclosed
EP-0381728-B1 DIFLUOROMETHYL COMPOUNDS MERCK PATENT GMBH (DE) 1993-12-08 EP disclosed
WO-1990008757-A1 DIPHENYLYLETHANES AND LIQUID CRYSTALLINE PHASE MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-08-09 WO disclosed