SCHEMBL987918

SCHEMBL987918

COCCN(Cc1ccc(OCC(=O)O)c(-c2cccc(C#N)c2)c1)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.50
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA4 P22748 3/20 0.42
CA9 Q16790 3/20 0.42
KMT2A Q03164 1/20 0.42
KCNA5 P22460 2/20 0.42
PTPN1 P18031 4/20 0.41
CXCR3 P49682 1/20 0.41
PTGER1 P34995 1/20 0.40

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
SCHEMBL988505 0.91 PTGDR2 (0.52) PTGDR2CA12CA1CA2CA4
SCHEMBL12948843 0.88 CA12 (0.46) PTGDR2CA12CA1CA2CA4
SCHEMBL988190 0.88 MLNR (0.42) PTGDR2CA12CA1CA2CA4
SCHEMBL987762 0.87 PTGDR2 (0.55) PTGDR2PTPN1PTGER1
SCHEMBL990553 0.82 PTGDR2 (0.46) PTGDR2CA12CA1CA2CA4
SCHEMBL987174 0.81 KCNA5 (0.37) PTGDR2CA12CA1CA2CA4
SCHEMBL2773348 0.80 PTGDR2 (0.55) PTGDR2PTPN1
SCHEMBL2770500 0.80 PTGDR2 (0.55) PTGDR2PTPN1
SCHEMBL2771657 0.80 PTGDR2 (0.55) PTGDR2PTPN1
SCHEMBL2773852 0.80 PTGDR2 (0.52) PTGDR2PTPN1

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