SCHEMBL8959461

SCHEMBL8959461

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

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
PPARD Q03181 1/20 0.31
FASN P49327 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL8959466 0.97 PPARD (0.31) PTGESALOX5PPARDFASN
SCHEMBL8959465 0.97 PPARD (0.31) PPARD
SCHEMBL8959462 0.97 PPARD (0.31) PPARD
SCHEMBL8959468 0.97 PPARD (0.31) PPARD
SCHEMBL8959457 0.97 PPARD (0.31) PPARD
SCHEMBL8959446 0.96 FPR2 (0.33) FASNCYP3A4CYP2C9
SCHEMBL8960394 0.93
SCHEMBL8959444 0.93 KDM1A (0.34) FASNCYP3A4CYP2C9
SCHEMBL19985404 0.91 ALOX5 (0.34) PTGESALOX5CYP2C9PDE4APDE4B
SCHEMBL8933849 0.90 FASN (0.31) PPARDFASNCYP3A4CYP2C9FFAR4

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