SCHEMBL8933849

SCHEMBL8933849

C/C=C\CCOc1ccc(-c2ccc(-c3ccc(C4CCC(CCCCC)CC4)cc3F)cc2)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30
PPARD Q03181 1/20 0.30

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
SCHEMBL8960394 0.97
SCHEMBL8959466 0.91 PPARD (0.31) FASNPPARD
SCHEMBL8934156 0.91 CYP3A4 (0.32) FASNCYP3A4CYP2C9
SCHEMBL8933072 0.91 PPARD (0.35) FASNCYP3A4CYP2C9FFAR4PPARD
SCHEMBL8933154 0.91 PPARD (0.35) FASNCYP3A4CYP2C9PPARD
SCHEMBL8959462 0.91 PPARD (0.31) PPARD
SCHEMBL8959465 0.91 PPARD (0.31) PPARD
SCHEMBL8959457 0.91 PPARD (0.31) PPARD
SCHEMBL8959468 0.91 PPARD (0.31) PPARD
SCHEMBL8959461 0.90 PTGES (0.32) FASNCYP3A4CYP2C9FFAR4PPARD

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
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed