SCHEMBL14766725

SCHEMBL14766725

CCCCOc1ncc(-c2ccc(CCc3ccc(-c4ccc(OCCCC)c(F)c4F)cc3)c(F)c2F)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.35
S1PR1 P21453 4/20 0.34
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
CNR1 P21554 1/20 0.33
S1PR3 Q99500 2/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
GLA P06280 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RARB P10826 1/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31

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
SCHEMBL14766723 0.92 CNR2 (0.39) CNR2S1PR1CTSLCTSSCTSK
SCHEMBL12738849 0.91 CNR2 (0.35) CNR2S1PR1MAPTRAB9AL3MBTL1
SCHEMBL14766845 0.89 FFAR4 (0.37) S1PR1CTSLCTSSCTSKS1PR3
SCHEMBL21869910 0.89 CNR2 (0.39) CNR2S1PR1MAPTRAB9AL3MBTL1
SCHEMBL12738835 0.88 CYP11B1 (0.36) CNR2S1PR1MAPTRAB9AL3MBTL1
SCHEMBL12738840 0.88 RARB (0.35) CNR2S1PR1MAPTRAB9AL3MBTL1
SCHEMBL14766450 0.88 S1PR1 (0.40) CNR2S1PR1MAPTRAB9AL3MBTL1
SCHEMBL14766948 0.88 S1PR1 (0.42) CNR2S1PR1CNR1S1PR3GLA
SCHEMBL14766518 0.88 CYP3A4 (0.40) CNR2S1PR1MAPTRAB9AL3MBTL1
SCHEMBL14766029 0.88 CYP3A4 (0.40) CNR2S1PR1MAPTRAB9AL3MBTL1

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