SCHEMBL8747985

SCHEMBL8747985

CCCCCC1CCC(CCc2ccc(-c3ccc(OC(F)(F)F)c(F)c3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.41
RARA P10276 2/20 0.41
RARG P13631 1/20 0.41
S1PR1 P21453 1/20 0.39
NAAA Q02083 2/20 0.38
CTSK P43235 1/20 0.38
FFAR4 Q5NUL3 1/20 0.36
HCRTR1 O43613 4/20 0.35
HCRTR2 O43614 4/20 0.35
CYP17A1 P05093 1/20 0.35
EPHX2 P34913 3/20 0.34

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
SCHEMBL8748030 0.99 RARB (0.43) RARBRARARARGS1PR1NAAA
SCHEMBL8747918 0.99 RARB (0.43) RARBRARARARGS1PR1NAAA
SCHEMBL8748046 0.97 RARB (0.39) RARBRARARARGS1PR1NAAA
SCHEMBL8034197 0.92 NAAA (0.40) RARBRARARARGS1PR1NAAA
SCHEMBL8747990 0.91 HCRTR1 (0.39) HCRTR1HCRTR2EPHX2
SCHEMBL8747890 0.90 HCRTR1 (0.39) S1PR1HCRTR1HCRTR2EPHX2
SCHEMBL8747856 0.90 HCRTR1 (0.39) S1PR1HCRTR1HCRTR2EPHX2
SCHEMBL8747913 0.90 HCRTR1 (0.39) HCRTR1HCRTR2EPHX2
SCHEMBL8748219 0.90 HCRTR1 (0.39) S1PR1HCRTR1HCRTR2EPHX2
SCHEMBL8747931 0.88 HCRTR1 (0.38) HCRTR1HCRTR2EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0761799-A1 Liquid crystalline compound substituted with fluorine containing group, liquid crystal composition, and liquid crystal display device Chisso Corporation (JP) 1997-03-12 EP disclosed