SCHEMBL14766836

SCHEMBL14766836

C=CCOc1ccc(-c2ccc(CCc3ccc(C4=CCC(OCC)CC4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
HTR2C P28335 2/20 0.31
HTR2B P41595 1/20 0.31
LMNA P02545 1/20 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
SCHEMBL14766238 0.92 GABRA1 (0.35) GABRA1GABRB2
SCHEMBL14766481 0.92 NAAA (0.35) GABRA1GABRB2HTR2CHTR2B
SCHEMBL14766743 0.91 FFAR4 (0.34)
SCHEMBL12738671 0.89 HTR2C (0.32) CTSLCTSSCTSKHTR2CHTR2B
SCHEMBL14766298 0.88 S1PR1 (0.31) GABRA1GABRB2HTR2A
SCHEMBL14766264 0.88 GABRA1 (0.35) GABRA1GABRB2
SCHEMBL14766572 0.87 GABRA1 (0.34) GABRA1GABRB2
SCHEMBL14766771 0.86 CCNT1 (0.33) GABRA1GABRB2
SCHEMBL14766981 0.85 CCNT1 (0.33) GABRA1GABRB2
SCHEMBL12718369 0.85 FFAR4 (0.33) GABRA1GABRB2CTSLCTSSCTSK

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