SCHEMBL8969591

SCHEMBL8969591

CCCCCCOc1ccc(-c2ccc(-c3ccc(CCCCC4OCC(CCCCC)CO4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.34
CNR1 P21554 9/20 0.34
ENPP2 Q13822 2/20 0.32
CTSL P07711 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
RARB P10826 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
SCHEMBL8969780 1.00 CNR2 (0.34) CNR2CNR1ENPP2CTSLCTSS
SCHEMBL8969882 1.00 CNR2 (0.34) CNR2CNR1ENPP2CTSLCTSS
SCHEMBL8969744 0.92 CNR2 (0.33) CNR2CNR1RARB
SCHEMBL8969598 0.91 S1PR1 (0.33) CNR2CNR1RARB
SCHEMBL8969459 0.90 CTSL (0.31) ENPP2CTSLCTSSCTSK
SCHEMBL8969514 0.90 CTSL (0.31) ENPP2CTSLCTSSCTSK
SCHEMBL8969677 0.89 CTSL (0.32) CTSLCTSSCTSK
SCHEMBL8969304 0.88 CNR2 (0.34) CNR2CNR1
SCHEMBL8969298 0.88 CNR2 (0.34) CNR2CNR1
SCHEMBL8969819 0.87 RARB (0.42) ENPP2RARB

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-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed