SCHEMBL14766758

SCHEMBL14766758

C=CCOc1ccc(-c2ccc(CCc3ccc(-c4cnc(OCC)nc4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
CYP2D6 P10635 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
FFAR4 Q5NUL3 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.31
FGFR1 P11362 1/20 0.30
FGFR2 P21802 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
SCHEMBL14766845 0.90 FFAR4 (0.37) CTSLCTSSCTSKFFAR4FGFR1
SCHEMBL12738858 0.90 CTSS (0.35) CTSLCTSSCTSKLMNAPOLB
SCHEMBL14767237 0.87 CTSL (0.38) CTSLCTSSCTSKLMNAPOLB
SCHEMBL14766411 0.87 CTSL (0.38) CTSLCTSSCTSKLMNAPOLB
SCHEMBL12822675 0.85 CTSS (0.32) CTSLCTSSCTSKLMNAALDH1A1
SCHEMBL12735596 0.85 CTSS (0.37) CTSLCTSSCTSKLMNAALDH1A1
SCHEMBL12740116 0.85 CTSS (0.37) CTSLCTSSCTSKLMNAALDH1A1
SCHEMBL10301931 0.84 CTSS (0.37) CTSLCTSSCTSKLMNAALDH1A1
SCHEMBL14766723 0.84 CNR2 (0.39) CTSLCTSSCTSKGABRA1GABRB2
SCHEMBL14766725 0.82 CNR2 (0.35) CTSLCTSSCTSKFFAR4

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