SCHEMBL14766587

SCHEMBL14766587

C=CCOc1ccc(CCc2ccc(-c3ccc(C4CCC(OCC)CC4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 4/20 0.36
HTR2A P28223 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAOB P27338 1/20 0.31
GYS1 P13807 1/20 0.30
FFAR1 O14842 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
SCHEMBL14765739 0.94 FFAR4 (0.36) FFAR4HTR2AGABRA1GABRB2MEN1
SCHEMBL14766570 0.91 FFAR4 (0.35) FFAR4GABRA1GABRB2
SCHEMBL14766903 0.91 FFAR4 (0.39) FFAR4HTR2AFFAR1
SCHEMBL14766773 0.90 FFAR4 (0.37) FFAR4HTR2AMEN1LMNAMAPT
SCHEMBL12740068 0.90 FFAR4 (0.38) FFAR4HTR2AMEN1LMNAMAPT
SCHEMBL14765728 0.88 GABRA1 (0.35) FFAR4HTR2AGABRA1GABRB2MEN1
SCHEMBL14766742 0.88 GABRA1 (0.35) FFAR4HTR2AGABRA1GABRB2MEN1
SCHEMBL14766544 0.88 NAAA (0.36) FFAR4HTR2AMEN1LMNAMAPT
SCHEMBL14766767 0.87 NAAA (0.35) GABRA1GABRB2GYS1FFAR1
SCHEMBL12718875 0.87 FFAR4 (0.37) FFAR4HTR2AMEN1LMNAMAPT

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