SCHEMBL14765690

SCHEMBL14765690

C=CCCOc1ccc(C2CCC(c3ccc(-c4ccc(OCCCC)cc4)c(F)c3F)CC2)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.37
FFAR1 O14842 1/20 0.37
RARA P10276 1/20 0.35
RARB P10826 1/20 0.35
CHRM2 P08172 2/20 0.34
CHRM4 P08173 2/20 0.34
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
CRBN Q96SW2 1/20 0.34
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 2/20 0.34
MCL1 Q07820 1/20 0.34
SCN9A Q15858 1/20 0.33
PTPN11 Q06124 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SLC10A2 Q12908 1/20 0.33
NPC1 O15118 1/20 0.32

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
SCHEMBL14765798 0.96 FFAR4 (0.39) FFAR4FFAR1RARARARBCHRM2
SCHEMBL14765684 0.94 FFAR4 (0.41) FFAR4FFAR1NPC1LMNARAB9A
SCHEMBL12733967 0.91 CYP2C9 (0.35) FFAR4FFAR1CYP2C9HPGD
SCHEMBL14765823 0.90 FFAR4 (0.41) FFAR4FFAR1RARARARBCHRM2
SCHEMBL14766184 0.89 FFAR4 (0.35) FFAR4FFAR1RARARARBCHRM2
SCHEMBL14766321 0.89 FFAR1 (0.35) FFAR4FFAR1RARARARBSCN9A
SCHEMBL14766380 0.89 FFAR4 (0.34) FFAR4FFAR1RARARARBCHRM2
SCHEMBL14767103 0.89 FFAR1 (0.38) FFAR4FFAR1RARARARBSCN9A
SCHEMBL14767254 0.89 FFAR4 (0.34) FFAR4FFAR1RARARARBCHRM2
SCHEMBL14765848 0.89 CNR2 (0.35) FFAR4RARARARBCHRM2CHRM4

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