SCHEMBL8970559

SCHEMBL8970559

CCCCCCOc1ccc(-c2ccc(-c3ccc(OCC4OCC(CCCCC)CO4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 4/20 0.32
FPR2 P25090 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
S1PR5 Q9H228 2/20 0.31
S1PR1 P21453 1/20 0.31
ENPP2 Q13822 2/20 0.31
THRA P10827 1/20 0.30
THRB P10828 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
SCHEMBL8970534 0.92 S1PR1 (0.34) PTPN11FPR2S1PR5S1PR1THRA
SCHEMBL8970621 0.92 ALDH1A1 (0.34) PTPN11FPR2ALDH1A1TDP1S1PR5
SCHEMBL8970598 0.92 ALDH1A1 (0.34) PTPN11FPR2ALDH1A1TDP1S1PR5
SCHEMBL8970738 0.88 S1PR1 (0.34) PTPN11FPR2S1PR1THRATHRB
SCHEMBL8969591 0.87 CNR2 (0.34) ENPP2
SCHEMBL8969882 0.87 CNR2 (0.34) ENPP2
SCHEMBL8969780 0.87 CNR2 (0.34) ENPP2
SCHEMBL8951909 0.86 FPR2 (0.33) PTPN11FPR2S1PR5S1PR1THRA
SCHEMBL8952022 0.86 FPR2 (0.33) PTPN11FPR2S1PR5S1PR1THRA
SCHEMBL8952017 0.86 FPR2 (0.33) PTPN11FPR2S1PR5S1PR1THRA

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