SCHEMBL8941733

SCHEMBL8941733

C=CC1CCC(c2ccc(-c3ccc(-c4ccc(OCCC)c(F)c4F)cc3)cc2F)OC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
FPR2 P25090 5/20 0.33
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
HTR2A P28223 1/20 0.31
BRD4 O60885 1/20 0.30
FFAR4 Q5NUL3 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
SCHEMBL8941341 0.95 CNR2 (0.34) GABRA1GABRB2
SCHEMBL8941412 0.95 GABRA1 (0.34) GABRA1GABRB2FPR2
SCHEMBL8941564 0.94 FPR2 (0.33) GABRA1GABRB2FPR2BRD4
SCHEMBL8941332 0.94 PTPN11 (0.34) GABRA1GABRB2FPR2
SCHEMBL8941456 0.94 PTPN11 (0.34) GABRA1GABRB2FPR2
SCHEMBL8941428 0.94 PTPN11 (0.34) GABRA1GABRB2FPR2
SCHEMBL8941575 0.94 PTPN11 (0.34) GABRA1GABRB2FPR2
SCHEMBL8943064 0.93 GABRA1 (0.38) GABRA1GABRB2FPR2HTR2CHTR2B
SCHEMBL18718327 0.92 CNR2 (0.37) GABRA1GABRB2FPR2
SCHEMBL18718322 0.91 FPR2 (0.35) GABRA1GABRB2FPR2BRD4

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