SCHEMBL9060268

SCHEMBL9060268

CCCCCCc1ccc(CCc2ccc(-c3ccc(OC(F)F)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.50
PPARA Q07869 1/20 0.50
TSHR P16473 1/20 0.50
RARB P10826 7/20 0.49
ALDH1A1 P00352 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 3/20 0.49
RARA P10276 2/20 0.49
MTOR P42345 1/20 0.49
ESR1 P03372 2/20 0.46
ADRA2A P08913 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
TACR2 P21452 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
LMNA P02545 2/20 0.46
CYP3A4 P08684 2/20 0.46
KDM4E B2RXH2 2/20 0.46

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
SCHEMBL9060759 1.00 HSD17B10 (0.50) HSD17B10PPARATSHRRARBALDH1A1
SCHEMBL9061890 1.00 HSD17B10 (0.50) HSD17B10PPARATSHRRARBALDH1A1
SCHEMBL9061594 1.00 HSD17B10 (0.50) HSD17B10PPARATSHRRARBALDH1A1
SCHEMBL9060272 1.00 HSD17B10 (0.50) HSD17B10PPARATSHRRARBALDH1A1
SCHEMBL9062343 0.98 HSD17B10 (0.51) HSD17B10PPARATSHRRARBALDH1A1
SCHEMBL9061641 0.98 HSD17B10 (0.51) HSD17B10PPARATSHRRARBALDH1A1
SCHEMBL8990772 0.98 PPARA (0.48) HSD17B10PPARATSHRRARBALDH1A1
SCHEMBL9061760 0.98 HSD17B10 (0.51) HSD17B10PPARATSHRRARBALDH1A1
SCHEMBL9061964 0.98 HSD17B10 (0.51) HSD17B10PPARATSHRRARBALDH1A1
SCHEMBL10337705 0.98 HSD17B10 (0.51) HSD17B10PPARATSHRRARBALDH1A1

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-5536442-A ELECTROOPTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-16 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-0381728-B1 DIFLUOROMETHYL COMPOUNDS MERCK PATENT GMBH (DE) 1993-12-08 EP disclosed