SCHEMBL8945459

SCHEMBL8945459

CCCCCCCC1CCC(c2ccc(-c3ccc(-c4ccc(OCCCC)c(F)c4F)cc3)cc2F)CO1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.33
RARB P10826 2/20 0.32
RARA P10276 1/20 0.32
S1PR1 P21453 1/20 0.31
PTPN11 Q06124 2/20 0.31
EPHX1 P07099 1/20 0.30
SCN9A Q15858 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
SCHEMBL8945376 0.99 FPR2 (0.33) FPR2RARBRARAS1PR1SCN9A
SCHEMBL8945751 0.98 FPR2 (0.35) FPR2RARBRARAPTPN11EPHX1
SCHEMBL8945223 0.98 FPR2 (0.35) FPR2RARBRARAPTPN11EPHX1
SCHEMBL8945433 0.98 FPR2 (0.35) FPR2RARBRARAPTPN11EPHX1
SCHEMBL8945797 0.98 FPR2 (0.35) FPR2RARBRARAPTPN11EPHX1
SCHEMBL8945390 0.98 FPR2 (0.35) FPR2RARBRARAPTPN11EPHX1
SCHEMBL8945439 0.98 FPR2 (0.35) FPR2RARBRARAPTPN11EPHX1
SCHEMBL8945229 0.98 FPR2 (0.35) FPR2RARBRARAPTPN11EPHX1
SCHEMBL8945748 0.98 FPR2 (0.35) FPR2RARBRARAPTPN11EPHX1
SCHEMBL8945746 0.98 FPR2 (0.35) FPR2RARBRARAPTPN11EPHX1

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