SCHEMBL14766600

SCHEMBL14766600

C=CCCCOc1ccc(CCc2ccc(-c3ccc(-c4ccc(OCCCC)cc4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.43
CNR1 P21554 1/20 0.40
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP3A4 P08684 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
KMT2A Q03164 1/20 0.35
SLCO1B3 Q9NPD5 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35
S1PR1 P21453 4/20 0.35
S1PR3 Q99500 2/20 0.35
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
GABRA1 P14867 2/20 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
SCHEMBL14766295 1.00 CNR2 (0.43) CNR2CNR1ALDH1A1L3MBTL1LMNA
SCHEMBL14766470 0.97 CNR2 (0.42) CNR2CNR1ALDH1A1L3MBTL1LMNA
SCHEMBL14766286 0.97 CNR2 (0.42) CNR2CNR1ALDH1A1L3MBTL1LMNA
SCHEMBL14766518 0.92 CYP3A4 (0.40) CNR2ALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL14766029 0.92 CYP3A4 (0.40) CNR2ALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL14766003 0.92 S1PR1 (0.43) CNR2CNR1ALDH1A1LMNASMN1; SMN2
SCHEMBL14766597 0.91 CNR2 (0.36) CNR2CNR1L3MBTL1CTSLCTSS
SCHEMBL14766167 0.91 CNR2 (0.36) CNR2CNR1L3MBTL1CTSLCTSS
SCHEMBL14766907 0.90 LMNA (0.39) CNR2ALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL14766054 0.90 LMNA (0.39) CNR2ALDH1A1L3MBTL1LMNASMN1; 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