SCHEMBL14766294

SCHEMBL14766294

C=CCCOc1ccc(C2CCC(C(=O)Oc3ccc(-c4ccc(OCCCC)cc4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.34
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FFAR4 Q5NUL3 3/20 0.33
HPGD P15428 1/20 0.32
RARB P10826 2/20 0.32
RARA P10276 1/20 0.32
FFAR1 O14842 1/20 0.32
PPARD Q03181 3/20 0.31
S1PR1 P21453 1/20 0.31
S1PR5 Q9H228 1/20 0.31
PPARA Q07869 1/20 0.31
TAOK1 Q7L7X3 1/20 0.31
TAOK3 Q9H2K8 1/20 0.31
ACACB O00763 1/20 0.30
ACACA Q13085 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
SCHEMBL14767075 1.00 SCN9A (0.34) SCN9AALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL14767253 0.97 ALDH1A1 (0.35) SCN9AALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL14766178 0.97 ALDH1A1 (0.35) SCN9AALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL14767250 0.95 HPGD (0.35) FFAR4HPGDFFAR1PPARD
SCHEMBL14766194 0.95 HPGD (0.35) FFAR4HPGDFFAR1PPARD
SCHEMBL14766008 0.93 RAB9A (0.37) SCN9AALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL14767217 0.93 RAB9A (0.37) SCN9AALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL14765973 0.92 FFAR4 (0.38) SCN9AALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL14767220 0.92 FAAH (0.36) SCN9AALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL14765946 0.91 ACACB (0.37) SCN9AALDH1A1RAB9ANPC1SMN1; SMN2

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