SCHEMBL8962596

SCHEMBL8962596

C/C=C/C1CCC(C2CCC(c3ccc(-c4ccc(-c5ccc(OCCC)c(F)c5F)cc4)c(F)c3F)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.34
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31

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
SCHEMBL8935230 0.97 FPR2 (0.36) FPR2GABRA1GABRB2ALOX5APFEN1
SCHEMBL8962599 0.95 SCN9A (0.31) FPR2ALOX5APFEN1
SCHEMBL8962607 0.94 FPR2 (0.32) FPR2ALOX5APFEN1
SCHEMBL8962624 0.93 FPR2 (0.31) FPR2
SCHEMBL8962794 0.93 FPR2 (0.31) FPR2
SCHEMBL8962778 0.93 FPR2 (0.31) FPR2
SCHEMBL8962743 0.93 FPR2 (0.31) FPR2
SCHEMBL8962677 0.93 FPR2 (0.33) FPR2ALOX5APFEN1
SCHEMBL19985246 0.93 HTR2C (0.33) FPR2
SCHEMBL8935246 0.92 SCN9A (0.32) FPR2ALOX5APFEN1

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