SCHEMBL989095

SCHEMBL989095

COc1cc(F)cc(-c2cc(CN(CCO)S(=O)(=O)c3ccc(Cl)c(Cl)c3)ccc2OCC(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.44
PTGDR2 Q9Y5Y4 5/20 0.42
TAS2R14 Q9NYV8 3/20 0.41
CA12 O43570 5/20 0.40
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA4 P22748 5/20 0.40
CA9 Q16790 5/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39

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
SCHEMBL12948845 0.89 PTPN1 (0.45) PTPN1PTGDR2CA12CA1CA2
SCHEMBL990116 0.87 PTPN1 (0.43) PTPN1PTGDR2CA12CA1CA2
SCHEMBL2770497 0.84 PTGDR2 (0.44) PTPN1PTGDR2
SCHEMBL2772335 0.83 PTGDR2 (0.47) PTPN1PTGDR2
SCHEMBL2773052 0.80 PTGDR2 (0.47) PTPN1PTGDR2TAS2R14KEAP1NFE2L2
SCHEMBL13160853 0.80 PTGDR2 (0.43) PTPN1PTGDR2CA12CA1CA2
SCHEMBL12948844 0.80 PTGDR2 (0.47) PTPN1PTGDR2CA12CA1CA2
SCHEMBL2770744 0.80 PTGDR2 (0.45) PTPN1PTGDR2TAS2R14KEAP1NFE2L2
SCHEMBL2771457 0.80 TAS2R14 (0.47) PTPN1PTGDR2TAS2R14KEAP1NFE2L2
SCHEMBL2769543 0.78 PTGDR2 (0.43) PTPN1PTGDR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011002814-A2 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INC. (US) 2011-01-06 WO claimed
WO-2011002814-A2 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INC. (US) 2011-01-06 WO disclosed