SCHEMBL14766611

SCHEMBL14766611

C=CCCCOc1ccc(CCc2ccc(-c3ccc(-c4ccc(OCCCC)cc4)c(F)c3F)cc2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.43
S1PR1 P21453 6/20 0.40
CNR1 P21554 1/20 0.40
S1PR3 Q99500 4/20 0.38
FAAH O00519 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
GLA P06280 1/20 0.37
RARB P10826 2/20 0.36
RARA P10276 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL14767024 0.96 CNR2 (0.43) CNR2S1PR1CNR1S1PR3FAAH
SCHEMBL14767000 0.92 CNR2 (0.43) CNR2S1PR1CNR1FAAHRARB
SCHEMBL14766902 0.91 S1PR1 (0.45) CNR2S1PR1S1PR3FAAHSMN1; SMN2
SCHEMBL14766604 0.91 FFAR1 (0.38) CNR2S1PR1CNR1FFAR1FFAR4
SCHEMBL14766003 0.90 S1PR1 (0.43) CNR2S1PR1CNR1S1PR3FAAH
SCHEMBL14766756 0.89 FFAR4 (0.42) S1PR1S1PR3FAAHSMN1; SMN2GLA
SCHEMBL14766695 0.89 S1PR1 (0.44) CNR2S1PR1S1PR3FAAHSMN1; SMN2
SCHEMBL14767298 0.89 CNR2 (0.42) CNR2S1PR1CNR1S1PR3FAAH
SCHEMBL12740155 0.88 FFAR4 (0.38) CNR2S1PR1CNR1S1PR3FFAR1
SCHEMBL14766295 0.88 CNR2 (0.43) CNR2S1PR1CNR1S1PR3SMN1; 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