SCHEMBL14766624

SCHEMBL14766624

C=CCCCOc1ccc(CCC2CCC(c3ccc(C4CCC(OCCCC)CC4)c(F)c3F)CC2)cc1F

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
SCN9A Q15858 1/20 0.32
CNR2 P34972 1/20 0.32
PPARG P37231 3/20 0.31
S1PR1 P21453 2/20 0.31
S1PR2 O95136 1/20 0.31
S1PR3 Q99500 1/20 0.31
LPAR2 Q9HBW0 1/20 0.31
HPGD P15428 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
SCHEMBL14766891 0.97 SCN9A (0.33) GLASMN1; SMN2GABRA1GABRB2SCN9A
SCHEMBL14766974 0.94 GLA (0.36) GLASMN1; SMN2SCN9APPARGS1PR1
SCHEMBL14766671 0.91 GABRA1 (0.32) GABRA1GABRB2HPGD
SCHEMBL14766569 0.91 KDM1A (0.34) GLASMN1; SMN2SCN9APPARGS1PR1
SCHEMBL14766674 0.91 GLA (0.35) GLASMN1; SMN2SCN9APPARGS1PR1
SCHEMBL14766992 0.89 SCN9A (0.35) GLASMN1; SMN2GABRA1GABRB2SCN9A
SCHEMBL12739739 0.88 KDM4E (0.37) SCN9AHPGD
SCHEMBL14766710 0.88 CNR2 (0.35) GLASMN1; SMN2GABRA1GABRB2CNR2
SCHEMBL14765767 0.88 KDM1A (0.31)
SCHEMBL14767113 0.87 GABRA1 (0.36) GLASMN1; SMN2GABRA1GABRB2SCN9A

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