SCHEMBL8971485

SCHEMBL8971485

CCCCCCCC1CCC(OC(=O)c2ccc(-c3ccc(-c4ccc(OCC)c(F)c4F)cc3)cc2F)OC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.37
RARA P10276 2/20 0.37
RARG P13631 1/20 0.37
NAAA Q02083 2/20 0.33
PTPN11 Q06124 2/20 0.32
FFAR4 Q5NUL3 1/20 0.31
MGLL Q99685 3/20 0.31
PTPN1 P18031 1/20 0.31
PTPN6 P29350 1/20 0.31
PKM P14618 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
SCHEMBL8971549 0.93 FFAR4 (0.32) FFAR4
SCHEMBL8971486 0.93 FFAR4 (0.32) FFAR4
SCHEMBL12999850 0.89 RARB (0.37) RARBRARARARGNAAA
SCHEMBL8971199 0.89 RARB (0.40) RARBPTPN11FFAR4
SCHEMBL13263136 0.86 NAAA (0.36) RARBRARANAAAFFAR4PKM
SCHEMBL8971618 0.84 RARB (0.38) RARBRARARARGNAAAPTPN11
SCHEMBL8971368 0.84 NAAA (0.38) RARBRARARARGNAAAPTPN11
SCHEMBL8971187 0.83 NAAA (0.41) NAAA
SCHEMBL8971281 0.82 FFAR4 (0.32) RARBRARARARGNAAAPTPN11
SCHEMBL8972645 0.81

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