SCHEMBL14766734

SCHEMBL14766734

CCOc1ccc(CCc2ccc(-c3ccc(C4CCC(OCC)CC4)c(F)c3F)cc2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.37
FFAR4 Q5NUL3 2/20 0.37
KDM1A O60341 2/20 0.35
CALM1 P0DP23 2/20 0.34
FPR2 P25090 2/20 0.33
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
CAMKK1 Q8N5S9 1/20 0.32
CAMKK2 Q96RR4 1/20 0.32
HTR6 P50406 1/20 0.31
SSTR5 P35346 2/20 0.31
SSTR3 P32745 1/20 0.31
KCNH2 Q12809 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31

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
SCHEMBL12822776 0.92 FFAR4 (0.37) NAAAFFAR4KDM1ACALM1FPR2
SCHEMBL14766736 0.91 S1PR1 (0.35) NAAAFFAR4KDM1ACALM1FPR2
SCHEMBL12740003 0.91 FFAR4 (0.38) NAAAFFAR4KDM1ACALM1FPR2
SCHEMBL14767031 0.91 GABRA1 (0.35) NAAAFFAR4HTR6KCNH2
SCHEMBL14766646 0.90 S1PR1 (0.38) NAAAFFAR4FPR2ALOX5APFEN1
SCHEMBL12740330 0.90 NAAA (0.39) NAAAFFAR4KDM1AFPR2CAMKK1
SCHEMBL12739992 0.90 FFAR4 (0.37) NAAAFFAR4KDM1ACALM1FPR2
SCHEMBL14766389 0.90 GABRA1 (0.36) NAAAFFAR4
SCHEMBL14766730 0.89 S1PR1 (0.37) NAAAFFAR4FPR2
SCHEMBL14766550 0.89 PPARD (0.41) NAAAFFAR4HTR6

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-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed