SCHEMBL8959446

SCHEMBL8959446

C/C=C/CCC1CCC(C2CCC(c3ccc(-c4ccc(-c5ccc(OCCC)c(F)c5F)cc4)c(F)c3)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.33
FASN P49327 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRB2 P47870 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
SCHEMBL8959461 0.96 PTGES (0.32) FASNCYP3A4CYP2C9
SCHEMBL8959466 0.95 PPARD (0.31) FPR2FASN
SCHEMBL8959457 0.94 PPARD (0.31)
SCHEMBL8959462 0.94 PPARD (0.31)
SCHEMBL8959468 0.94 PPARD (0.31)
SCHEMBL8959465 0.94 PPARD (0.31)
SCHEMBL8959444 0.94 KDM1A (0.34) FPR2FASNCYP3A4CYP2C9
SCHEMBL19985397 0.91 CYP2C9 (0.33) FPR2CYP2C9GABRA1GABRB2
SCHEMBL8960394 0.91
SCHEMBL13000778 0.90 CYP3A4 (0.31) CYP3A4CYP2C9

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