SCHEMBL8960983

SCHEMBL8960983

C=CC1CCC(C2CCC(c3ccc(-c4ccc(-c5ccc(OCCC)c(F)c5F)cc4)cc3F)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
FPR2 P25090 2/20 0.33
FFAR4 Q5NUL3 1/20 0.31
BTK Q06187 1/20 0.30
HTR2C P28335 2/20 0.30
HTR2B P41595 2/20 0.30
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
SCHEMBL8934379 0.97 GABRA1 (0.39) GABRA1GABRB2FPR2FFAR4BTK
SCHEMBL8961175 0.95 CNR2 (0.35) GABRA1GABRB2
SCHEMBL8961178 0.94 GABRA1 (0.35) GABRA1GABRB2FPR2
SCHEMBL8961113 0.94 GABRA1 (0.34) GABRA1GABRB2FPR2
SCHEMBL8961329 0.94 GABRA1 (0.34) GABRA1GABRB2FPR2
SCHEMBL8961225 0.94 GABRA1 (0.34) GABRA1GABRB2FPR2
SCHEMBL8961333 0.94 GABRA1 (0.34) GABRA1GABRB2FPR2
SCHEMBL8961305 0.93 NAAA (0.33) GABRA1GABRB2FPR2FFAR4
SCHEMBL8934382 0.92 CNR2 (0.36) GABRA1GABRB2FPR2FFAR4
SCHEMBL13000538 0.91 FFAR4 (0.31) FFAR4

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