SCHEMBL14765995

SCHEMBL14765995

C=CCOc1ccc(C2CCC(CCc3ccc(-c4ccc(OCC)cc4)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
GYS1 P13807 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
HTR2C P28335 4/20 0.32
HTR2A P28223 2/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2D6 P10635 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR2B P41595 2/20 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
SCHEMBL14766603 1.00 CTSL (0.32) CTSLCTSSCTSKGYS1FFAR4
SCHEMBL14765771 0.92 FFAR4 (0.35) FFAR4
SCHEMBL14766462 0.92 FFAR4 (0.35) FFAR4
SCHEMBL14765884 0.91 FFAR4 (0.31) FFAR4
SCHEMBL14767203 0.91 FFAR4 (0.31) FFAR4
SCHEMBL12739827 0.91 HTR2C (0.32) CTSLCTSSCTSKHTR2CHTR2A
SCHEMBL12735104 0.91 HTR2C (0.32) CTSLCTSSCTSKHTR2CHTR2A
SCHEMBL14765807 0.90 HTR2C (0.36) GYS1FFAR4HTR2CHTR2AMEN1
SCHEMBL14766813 0.89 FFAR4 (0.33) GYS1FFAR4HTR2AMEN1KMT2A
SCHEMBL14766073 0.89 FFAR4 (0.33) GYS1FFAR4HTR2AMEN1KMT2A

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