SCHEMBL17387646

SCHEMBL17387646

CCN(Cc1cc(-c2ccc(OC)nc2)ccc1-c1cc(CC(=O)O)ccc1OC)C(=O)C1CC1

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 20/20 0.79
▸ PTGDR Q13258 4/20 0.79
▸ CYP3A4 P08684 3/20 0.79
▸ TBXA2R P21731 3/20 0.50
▸ CYP2C9 P11712 2/20 0.46
▸ PTGIR P43119 2/20 0.46

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
SCHEMBL137393 0.95 PTGDR2 (0.88) PTGDR2PTGDRCYP3A4TBXA2RCYP2C9
SCHEMBL10324108 0.94 PTGDR2 (0.87) PTGDR2PTGDRCYP3A4TBXA2RCYP2C9
SCHEMBL10324111 0.94 PTGDR2 (0.87) PTGDR2PTGDRCYP3A4TBXA2RCYP2C9
SCHEMBL137380 0.87 PTGDR2 (0.85) PTGDR2PTGDRCYP3A4TBXA2RCYP2C9
SCHEMBL137951 0.87 PTGDR2 (1.00) PTGDR2PTGDRCYP3A4TBXA2RCYP2C9
SCHEMBL135143 0.86 PTGDR2 (1.00) PTGDR2PTGDRCYP3A4TBXA2RCYP2C9
SCHEMBL135003 0.85 PTGDR2 (0.80) PTGDR2PTGDRCYP3A4TBXA2RCYP2C9
SCHEMBL137822 0.85 PTGDR2 (1.00) PTGDR2PTGDRCYP3A4TBXA2RCYP2C9
SCHEMBL151860 0.84 PTGDR2 (0.77) PTGDR2PTGDRCYP3A4TBXA2RCYP2C9
SCHEMBL136418 0.84 PTGDR2 (0.84) PTGDR2PTGDRCYP3A4TBXA2RCYP2C9

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
EP-2257524-B1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS BRICKELL BIOTECH INC (US) 2016-01-06 — — EP disclosed
Send feedback