SCHEMBL14767237

SCHEMBL14767237

C=CCOc1ccc(CCc2ccc(-c3ccc(-c4ccc(OCC)cc4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
LMNA P02545 1/20 0.37
FFAR1 O14842 2/20 0.36
FFAR4 Q5NUL3 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2D6 P10635 1/20 0.36
POLB P06746 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
MGAM O43451 3/20 0.33
GAA P10253 3/20 0.33
SI P14410 3/20 0.33

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
SCHEMBL14766411 1.00 CTSL (0.38) CTSLCTSSCTSKLMNAFFAR1
SCHEMBL14765756 0.92 FFAR1 (0.38) CTSLCTSSCTSKLMNAFFAR1
SCHEMBL14766925 0.90 FFAR4 (0.41) CTSLCTSSCTSKLMNAFFAR1
SCHEMBL14766365 0.90 FFAR4 (0.41) CTSLCTSSCTSKLMNAFFAR1
SCHEMBL14766167 0.89 CNR2 (0.36) CTSLCTSSCTSKFFAR1FFAR4
SCHEMBL14766597 0.89 CNR2 (0.36) CTSLCTSSCTSKFFAR1FFAR4
SCHEMBL12735596 0.89 CTSS (0.37) CTSLCTSSCTSKLMNAFFAR1
SCHEMBL12740116 0.89 CTSS (0.37) CTSLCTSSCTSKLMNAFFAR1
SCHEMBL14766076 0.88 MAOB (0.37) CTSLCTSSCTSKLMNAFFAR1
SCHEMBL10301931 0.88 CTSS (0.37) CTSLCTSSCTSKLMNAALDH1A1

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