SCHEMBL8971257

SCHEMBL8971257

CCCCCC1CCC(C(=O)Oc2ccc(-c3ccc(-c4ccc(OCCC)c(F)c4F)cc3)c(F)c2F)CO1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.32
RARB P10826 1/20 0.31
KDM4E B2RXH2 1/20 0.31
FFAR4 Q5NUL3 2/20 0.31
PTPN11 Q06124 1/20 0.31
PPARG P37231 1/20 0.30
LTB4R Q15722 1/20 0.30
LTB4R2 Q9NPC1 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
SCHEMBL8971500 0.88 FFAR4 (0.34) FPR2RARBFFAR4
SCHEMBL8971790 0.84 PTPN11 (0.36) PTPN11
SCHEMBL8971419 0.84 PTPN11 (0.36) PTPN11
SCHEMBL15340188 0.83 FFAR4 (0.33) FFAR4
SCHEMBL8971353 0.82 NTSR1 (0.32) FPR2RARBKDM4EPTPN11
SCHEMBL8970734 0.82 FPR2 (0.32) FPR2
SCHEMBL8971565 0.82 KDM4E (0.34) RARBKDM4EFFAR4
SCHEMBL8947179 0.81 FPR2 (0.37) FPR2
SCHEMBL8947353 0.80 FPR2 (0.36) FPR2
SCHEMBL12759761 0.80 CHRM2 (0.33) FPR2KDM4EFFAR4

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