SCHEMBL8990772

SCHEMBL8990772

CCCCCc1ccc(CCc2ccc(-c3ccc(OC(F)F)cc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.48
RARB P10826 7/20 0.47
HSD17B10 Q99714 2/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 2/20 0.46
RARA P10276 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
MTOR P42345 1/20 0.46
KMT2A Q03164 1/20 0.46
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
THRB P10828 1/20 0.44
DRD1 P21728 1/20 0.44
DAO P14920 1/20 0.43

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
SCHEMBL9061594 0.98 HSD17B10 (0.50) PPARARARBHSD17B10TSHRMAPT
SCHEMBL9060759 0.98 HSD17B10 (0.50) PPARARARBHSD17B10TSHRMAPT
SCHEMBL9061890 0.98 HSD17B10 (0.50) PPARARARBHSD17B10TSHRMAPT
SCHEMBL9060272 0.98 HSD17B10 (0.50) PPARARARBHSD17B10TSHRMAPT
SCHEMBL9060268 0.98 HSD17B10 (0.50) PPARARARBHSD17B10TSHRMAPT
SCHEMBL9060970 0.98 PPARA (0.49) PPARARARBHSD17B10TSHRMAPT
SCHEMBL9062343 0.97 HSD17B10 (0.51) PPARARARBHSD17B10TSHRMAPT
SCHEMBL9061641 0.97 HSD17B10 (0.51) PPARARARBHSD17B10TSHRMAPT
SCHEMBL9061760 0.97 HSD17B10 (0.51) PPARARARBHSD17B10TSHRMAPT
SCHEMBL9061964 0.97 HSD17B10 (0.51) PPARARARBHSD17B10TSHRMAPT

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 5 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
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