SCHEMBL8946117

SCHEMBL8946117

C/C=C/C1CCC(c2ccc(-c3ccc(-c4ccc(OCCC)c(F)c4F)cc3)cc2F)CO1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 8/20 0.35
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
HTR2A P28223 1/20 0.32

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
SCHEMBL18718469 0.96 FPR2 (0.37) FPR2GABRA1GABRB2HTR2CHTR2B
SCHEMBL8946026 0.96 RARA (0.32) FPR2
SCHEMBL8946045 0.95 FPR2 (0.34) FPR2GABRA1GABRB2
SCHEMBL8946050 0.94 FPR2 (0.33) FPR2
SCHEMBL8946205 0.94 FPR2 (0.33) FPR2
SCHEMBL8946158 0.94 FPR2 (0.33) FPR2
SCHEMBL8945989 0.94 FPR2 (0.33) FPR2
SCHEMBL8946160 0.94 FPR2 (0.33) FPR2
SCHEMBL8947506 0.92 FPR2 (0.37) FPR2GABRA1GABRB2HTR2CHTR2B
SCHEMBL13000181 0.90

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