SCHEMBL3430673

SCHEMBL3430673

CCN(CS(=O)(=O)c1cc(NS(C)(=O)=O)ccc1-c1cc(CC(=O)O)ccc1OC)C(C)=O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.49
TBXA2R P21731 3/20 0.47
PTGDR Q13258 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
FABP4 P15090 2/20 0.42
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
PTGIR P43119 2/20 0.41

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
SCHEMBL140820 0.86 PTGDR2 (0.61) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL155869 0.84 PTGDR2 (0.54) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL137368 0.76 PTGDR2 (0.80) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL1060090 0.76 PTGDR2 (0.50) PTGDR2TBXA2RPTGDRL3MBTL1FABP4
SCHEMBL3433653 0.74 PTGDR2 (0.62) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL139650 0.74 PTGDR2 (0.77) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL1058417 0.74 L3MBTL1 (0.44) PTGDR2TBXA2RPTGDRL3MBTL1FABP4
SCHEMBL137183 0.74 PTGDR2 (0.75) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL141307 0.73 PTGDR2 (0.68) PTGDR2TBXA2RPTGDRCYP3A4CYP2C9
SCHEMBL155416 0.72 PTGDR2 (0.54) 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-2257524-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2010-12-08 EP claimed
WO-2009099902-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-08-13 WO claimed