SCHEMBL990116

SCHEMBL990116

N#Cc1cc(F)cc(-c2cc(CN(CCO)S(=O)(=O)c3ccc(Cl)c(Cl)c3)ccc2OCC(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.43
PTGDR2 Q9Y5Y4 6/20 0.43
PTGER2 P43116 1/20 0.38
CA12 O43570 5/20 0.38
CA1 P00915 5/20 0.38
CA2 P00918 5/20 0.38
CA4 P22748 5/20 0.38
CA9 Q16790 5/20 0.38
CXCR3 P49682 1/20 0.37

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
SCHEMBL990553 0.91 PTGDR2 (0.46) PTPN1PTGDR2CA12CA1CA2
SCHEMBL2769543 0.88 PTGDR2 (0.43) PTPN1PTGDR2PTGER2
SCHEMBL12948845 0.88 PTPN1 (0.45) PTPN1PTGDR2CA12CA1CA2
SCHEMBL989095 0.87 PTPN1 (0.44) PTPN1PTGDR2CA12CA1CA2
SCHEMBL989268 0.84 PTGDR2 (0.40) PTPN1PTGDR2PTGER2CXCR3
SCHEMBL2772984 0.83 PTGDR2 (0.44) PTPN1PTGDR2PTGER2
SCHEMBL988505 0.83 PTGDR2 (0.52) PTGDR2CA12CA1CA2CA4
SCHEMBL988190 0.82 MLNR (0.42) PTPN1PTGDR2CA12CA1CA2
SCHEMBL2772335 0.79 PTGDR2 (0.47) PTPN1PTGDR2
SCHEMBL12948844 0.79 PTGDR2 (0.47) 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 claimed