SCHEMBL14766756

SCHEMBL14766756

CCCCOc1ccc(-c2ccc(-c3ccc(CCc4ccc(OCC)c(F)c4)cc3)c(F)c2F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.42
FFAR1 O14842 1/20 0.42
S1PR1 P21453 5/20 0.42
S1PR3 Q99500 3/20 0.42
FAAH O00519 1/20 0.42
BRD4 O60885 1/20 0.41
RARB P10826 2/20 0.40
RARA P10276 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
GLA P06280 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
KMT2A Q03164 1/20 0.39
SLCO1B3 Q9NPD5 1/20 0.39
SLCO1B1 Q9Y6L6 1/20 0.39

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
SCHEMBL14766902 0.95 S1PR1 (0.45) FFAR4FFAR1S1PR1S1PR3FAAH
SCHEMBL14766695 0.93 S1PR1 (0.44) FFAR4FFAR1S1PR1S1PR3FAAH
SCHEMBL14766468 0.93 FFAR1 (0.42) FFAR4FFAR1MEN1ALDH1A1LMNA
SCHEMBL14766999 0.91 FFAR1 (0.46) FFAR4FFAR1FAAHBRD4RARB
SCHEMBL12740137 0.90 RARB (0.47) FFAR4S1PR1S1PR3RARBRARA
SCHEMBL14766002 0.89 S1PR1 (0.44) FFAR4FFAR1S1PR1S1PR3FAAH
SCHEMBL14766611 0.89 CNR2 (0.43) FFAR4FFAR1S1PR1S1PR3FAAH
SCHEMBL12740136 0.89 GABRA1 (0.43) FFAR4S1PR1S1PR3RARBSMN1; SMN2
SCHEMBL11025746 0.89 FFAR1 (0.46) FFAR4FFAR1S1PR1FAAHBRD4
SCHEMBL12718688 0.88 CALM1 (0.48) FFAR1ALDH1A1LMNAMAPTCALM1

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