SCHEMBL987716

SCHEMBL987716

CN(CCc1ccc(OCC(=O)O)c(-c2cccc(C(F)(F)F)c2)c1)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.57
PDE4D Q08499 1/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
CA9 Q16790 2/20 0.46
PPARD Q03181 2/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43

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
SCHEMBL988515 0.92 PTGDR2 (0.47) PTGDR2PDE4DCA12CA1CA2
SCHEMBL2769871 0.91 PTGDR2 (0.58) PTGDR2CA12CA1CA2CA4
SCHEMBL2772208 0.86 PTGDR2 (0.62) PTGDR2CA12CA1CA2CA4
SCHEMBL2771309 0.85 PTGDR2 (0.57) PTGDR2CA12CA1CA2CA4
SCHEMBL2773959 0.85 PTGDR2 (0.66) PTGDR2CA12CA1CA2CA4
SCHEMBL2770545 0.84 PTGDR2 (0.58) PTGDR2CA12CA1CA2CA4
SCHEMBL2771985 0.84 PTGDR2 (0.62) PTGDR2CA12CA1CA2CA4
SCHEMBL2771665 0.84 PTGDR2 (0.58) PTGDR2CA12CA1CA2CA4
SCHEMBL2773279 0.84 PTGDR2 (0.58) PTGDR2CA12CA1CA2CA4
SCHEMBL2773541 0.84 PTGDR2 (0.58) PTGDR2CA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010102154-A2 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-09-10 WO claimed
WO-2011002814-A2 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INC. (US) 2011-01-06 WO disclosed
WO-2010102154-A2 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-09-10 WO disclosed