SCHEMBL14766764

SCHEMBL14766764

C=CCOc1ccc(COc2ccc(-c3ccc(C4CCC(OCC)CC4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GYS1 P13807 1/20 0.36
FFAR4 Q5NUL3 3/20 0.35
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
HTR2C P28335 3/20 0.31
HTR2B P41595 2/20 0.31
MGAM O43451 3/20 0.31
GAA P10253 3/20 0.31
SI P14410 3/20 0.31
MGAM2 Q2M2H8 3/20 0.31
HTR2A P28223 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
SCHEMBL14766486 1.00 GYS1 (0.36) GYS1FFAR4GABRA1GABRB2HTR2C
SCHEMBL14766471 0.94 GYS1 (0.34) GYS1FFAR4HTR2CHTR2BMGAM
SCHEMBL14766413 0.94 GYS1 (0.34) GYS1FFAR4HTR2CHTR2BMGAM
SCHEMBL14766988 0.92 FFAR4 (0.35) FFAR4GABRA1GABRB2
SCHEMBL14765988 0.92 FFAR4 (0.35) FFAR4GABRA1GABRB2
SCHEMBL12736913 0.91 GYS1 (0.36) GYS1FFAR4HTR2CHTR2BMGAM
SCHEMBL12740399 0.91 GYS1 (0.36) GYS1FFAR4HTR2CHTR2BMGAM
SCHEMBL14766520 0.91 FFAR4 (0.38) GYS1FFAR4
SCHEMBL14766735 0.91 FFAR4 (0.38) GYS1FFAR4
SCHEMBL14766062 0.88 HTR2C (0.36) GABRA1GABRB2HTR2CHTR2BHTR2A

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