SCHEMBL8095387

SCHEMBL8095387

CCOc1ccc(CCc2ccc(OC(F)F)c(F)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
RAB9A P51151 1/20 0.41
FFAR1 O14842 2/20 0.41
PPARD Q03181 2/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
CALM1 P0DP23 2/20 0.40
NQO1 P15559 1/20 0.40
GPR84 Q9NQS5 1/20 0.39
DAO P14920 1/20 0.37
SLC5A1 P13866 1/20 0.37
SLC5A2 P31639 1/20 0.37
TSHR P16473 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CACNA1C Q13936 1/20 0.36

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
SCHEMBL9225813 0.82 FFAR1 (0.46) KMT2AMEN1RAB9AFFAR1PPARD
SCHEMBL9062347 0.81 KMT2A (0.52) KMT2AMEN1RAB9ANQO1GPR84
SCHEMBL12967349 0.78 CACNA1H (0.39) PPARGPPARA
SCHEMBL9224650 0.78 FFAR1 (0.41) KMT2AMEN1RAB9AFFAR1PPARD
SCHEMBL7731641 0.77 CACNA1H (0.36) FFAR1PPARDPPARAGPR84DAO
SCHEMBL7731646 0.77 CACNA1H (0.36) FFAR1PPARGDAOCACNA1C
SCHEMBL8990956 0.77 KMT2A (0.49) KMT2AMEN1RAB9AFFAR1NQO1
SCHEMBL14766468 0.77 FFAR1 (0.42) KMT2AMEN1RAB9AFFAR1PPARD
SCHEMBL9228824 0.77 FFAR1 (0.42) KMT2AMEN1RAB9AFFAR1PPARD
SCHEMBL8110627 0.77 NQO1 (0.50) CALM1NQO1GPR84SLC5A1SLC5A2

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-0628532-B1 Fluorobenzole derivatives and mesomorphous medium MERCK PATENT GMBH (DE) 2000-01-19 EP disclosed
US-5641429-A STABLE COMPOUNDS HAVING LOW VISCOSITY AND HIGH DIELECTRIC ANISOTROPY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-06-24 US disclosed
US-5536442-A ELECTROOPTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-16 US disclosed
US-5487845-A ELECTROOPTICAL DISPLAY ELEMENTS; CHEMICAL, HEAT AND LIGHT STABILITY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-01-30 US disclosed
EP-0441932-B1 FLUOROBENZOLE DERIVATIVES AND MESOMORPHOUS MEDIUM MERCK PATENT GMBH (DE) 1995-03-15 EP disclosed
EP-0628532-A1 Fluorobenzole derivatives and mesomorphous medium MERCK PATENT GmbH (DE) 1994-12-14 EP disclosed
WO-1991003450-A1 FLUOROBENZOLE DERIVATIVES AND MESOMORPHOUS MEDIUM MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-03-21 WO disclosed