SCHEMBL8946045

SCHEMBL8946045

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

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.34
PTPN11 Q06124 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB2 P47870 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
SCHEMBL8945989 0.99 FPR2 (0.33) FPR2PTPN11
SCHEMBL8946158 0.99 FPR2 (0.33) FPR2PTPN11
SCHEMBL8946205 0.99 FPR2 (0.33) FPR2PTPN11
SCHEMBL8946050 0.99 FPR2 (0.33) FPR2PTPN11
SCHEMBL8946026 0.97 RARA (0.32) FPR2
SCHEMBL8946117 0.95 FPR2 (0.35) FPR2GABRA1GABRB2
SCHEMBL8947509 0.92 FPR2 (0.34) FPR2GABRA1GABRB2
SCHEMBL8946160 0.92 FPR2 (0.33) FPR2
SCHEMBL8947513 0.91 FPR2 (0.34) FPR2
SCHEMBL8947510 0.91 FPR2 (0.34) FPR2

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