SCHEMBL8970032

SCHEMBL8970032

CCCCCCCOc1ccc(-c2ccc(-c3ccc(/C=C/C4COC(CCCCC)OC4)cc3F)cc2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.32
PTPN11 Q06124 1/20 0.32
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
PPARD Q03181 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL8969869 0.87
SCHEMBL8969904 0.87
SCHEMBL8969994 0.87 PTPN11 (0.32) PTPN11THRATHRB
SCHEMBL8970137 0.83 PRKCE (0.31) PPARD
SCHEMBL8953724 0.83 FPR2 (0.36) RARBPTPN11THRATHRBPPARD
SCHEMBL8953720 0.83 FPR2 (0.36) RARBPTPN11THRATHRBPPARD
SCHEMBL8953290 0.83 FPR2 (0.36) RARBPTPN11THRATHRBPPARD
SCHEMBL8953675 0.83 FPR2 (0.36) RARBPTPN11THRATHRBPPARD
SCHEMBL8953695 0.83 FPR2 (0.36) RARBPTPN11THRATHRBPPARD
SCHEMBL8953332 0.83 FPR2 (0.36) RARBPTPN11THRATHRBPPARD

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