SCHEMBL14767291

SCHEMBL14767291

CCCCOc1ccc(-c2ccc(C3CCC(C(=O)Oc4ccc(OCC)c(F)c4)CC3)c(F)c2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.39
FFAR4 Q5NUL3 4/20 0.39
RARA P10276 1/20 0.37
RARB P10826 1/20 0.37
FAAH O00519 2/20 0.37
PPARD Q03181 5/20 0.37
SCN9A Q15858 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CRBN Q96SW2 1/20 0.35
MCL1 Q07820 1/20 0.34

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
SCHEMBL14767174 0.96 RARA (0.38) FFAR1FFAR4RARARARBFAAH
SCHEMBL14767229 0.95 FFAR1 (0.38) FFAR1FFAR4RARARARBFAAH
SCHEMBL14767085 0.95 FFAR1 (0.41) FFAR1FFAR4PPARDHPGD
SCHEMBL14767134 0.93 FFAR1 (0.43) FFAR1FFAR4RARARARBFAAH
SCHEMBL14767267 0.92 FAAH (0.41) FFAR1FFAR4RARARARBFAAH
SCHEMBL14767293 0.92 FFAR4 (0.35) FFAR1FFAR4RARARARBFAAH
SCHEMBL12742343 0.92 RARB (0.39) FFAR1FFAR4RARARARBPPARD
SCHEMBL12742366 0.91 SCN9A (0.37) FFAR1FFAR4RARARARBFAAH
SCHEMBL12822867 0.91 HPGD (0.40) FFAR1FFAR4PPARDHPGDALDH1A1
SCHEMBL12742361 0.91 FFAR1 (0.36) FFAR1FFAR4PPARDHPGD

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