SCHEMBL8970598

SCHEMBL8970598

CCCCCCCCCCOc1ccc(-c2ccc(-c3ccc(OCC4COC(CCCCC)OC4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
ENPP2 Q13822 3/20 0.32
PTPN11 Q06124 2/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
FPR2 P25090 1/20 0.32
S1PR5 Q9H228 2/20 0.31
S1PR1 P21453 1/20 0.31
LPAR2 Q9HBW0 1/20 0.31

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
SCHEMBL8970621 1.00 ALDH1A1 (0.34) ALDH1A1TDP1ENPP2PTPN11PTGS1
SCHEMBL8970616 0.93 PTPN11 (0.34) PTPN11FPR2S1PR5S1PR1LPAR2
SCHEMBL8970559 0.92 PTPN11 (0.32) ALDH1A1TDP1ENPP2PTPN11FPR2
SCHEMBL8970757 0.91 PTPN11 (0.34) PTPN11PTGS1PTGS2S1PR1
SCHEMBL8969882 0.87 CNR2 (0.34) ENPP2
SCHEMBL8969591 0.87 CNR2 (0.34) ENPP2
SCHEMBL8969780 0.87 CNR2 (0.34) ENPP2
SCHEMBL8957200 0.86 FPR2 (0.37) ALDH1A1TDP1ENPP2PTPN11FPR2
SCHEMBL8957325 0.86 FPR2 (0.37) ALDH1A1TDP1ENPP2PTPN11FPR2
SCHEMBL8957219 0.86 FPR2 (0.37) ALDH1A1TDP1ENPP2PTPN11FPR2

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