SCHEMBL3809727

SCHEMBL3809727

COc1ccc(CC(=O)O)cc1-c1ccc(C(F)(F)F)cc1C(c1nnc(C)s1)S(N)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 20/20 0.48
▸ TBXA2R P21731 5/20 0.47
▸ PTGDR Q13258 5/20 0.47
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ PTGIR P43119 2/20 0.44

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
SCHEMBL2497706 0.86 PTGDR2 (0.50) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL2503430 0.77 PTGDR2 (0.56) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL2505339 0.77 PTGDR2 (0.58) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL3809729 0.75 PTGDR2 (0.56) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL2497708 0.75 PTGDR2 (0.56) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL2502872 0.73 PTGDR2 (0.55) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL153274 0.73 PTGDR2 (0.61) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL3629690 0.72 PTGDR2 (0.58) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL1270654 0.72 PTGDR2 (0.58) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL153039 0.71 PTGDR2 (0.70) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9

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-2010042652-A2 HETEROALKYL BIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-04-15 — — WO disclosed
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