SCHEMBL3629694

SCHEMBL3629694

COc1ccc(CC(=O)O)cc1-c1ccc(C(F)(F)F)cc1CCNC(C)=O

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 20/20 0.69
▸ TBXA2R P21731 5/20 0.66
▸ PTGDR Q13258 5/20 0.66
▸ CYP3A4 P08684 2/20 0.57
▸ CYP2C9 P11712 2/20 0.57
▸ PTGIR P43119 2/20 0.57

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
SCHEMBL1055326 0.90 PTGDR2 (0.75) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL2501697 0.84 PTGDR2 (0.71) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL1057389 0.84 PTGDR2 (0.81) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL153039 0.83 PTGDR2 (0.70) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL1055322 0.83 PTGDR2 (0.73) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL3627264 0.83 PTGDR2 (0.73) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL153095 0.82 PTGDR2 (0.77) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL138678 0.82 PTGDR2 (0.75) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL153719 0.82 PTGDR2 (0.69) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL153213 0.82 PTGDR2 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245022-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2010-11-03 — — EP claimed
WO-2009108720-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-09-03 — — WO claimed
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