SCHEMBL12948845

SCHEMBL12948845

Nc1cc(F)cc(-c2cc(CN(CCO)S(=O)(=O)c3ccc(Cl)c(Cl)c3)ccc2OCC(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.45
PTGDR2 Q9Y5Y4 4/20 0.42
CA12 O43570 9/20 0.41
CA1 P00915 9/20 0.41
CA2 P00918 9/20 0.41
CA4 P22748 9/20 0.41
CA9 Q16790 9/20 0.41

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
SCHEMBL12948844 0.91 PTGDR2 (0.47) PTPN1PTGDR2CA12CA1CA2
SCHEMBL989095 0.89 PTPN1 (0.44) PTPN1PTGDR2CA12CA1CA2
SCHEMBL990116 0.88 PTPN1 (0.43) PTPN1PTGDR2CA12CA1CA2
SCHEMBL13160853 0.88 PTGDR2 (0.43) PTPN1PTGDR2CA12CA1CA2
SCHEMBL12948911 0.84 PTGDR2 (0.41) PTPN1PTGDR2CA12CA1CA2
SCHEMBL13160869 0.82 PTGDR2 (0.44) PTPN1PTGDR2
SCHEMBL12948846 0.82 CA12 (0.48) PTPN1PTGDR2CA12CA1CA2
SCHEMBL12948913 0.81 PTGDR2 (0.44) PTPN1PTGDR2CA12CA1CA2
SCHEMBL2772335 0.81 PTGDR2 (0.47) PTPN1PTGDR2
SCHEMBL12948910 0.81 PTGDR2 (0.44) PTPN1PTGDR2CA12CA1CA2

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