SCHEMBL3968540

SCHEMBL3968540

Cc1c(Cc2cccn2S(=O)(=O)c2ccccc2)c2cc(C#N)ccn2c1CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.47
PTGDR Q13258 1/20 0.37
HTR6 P50406 1/20 0.36
PPME1 Q9Y570 6/20 0.36
RAPGEF4 Q8WZA2 2/20 0.35
APEH P13798 1/20 0.35

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
SCHEMBL3968600 0.91 PTGDR2 (0.41) PTGDR2PTGDRHTR6PPME1RAPGEF4
SCHEMBL3963643 0.91 PTGDR2 (0.42) PTGDR2HTR6PPME1RAPGEF4APEH
SCHEMBL3967967 0.81 PTGDR2 (0.36) PTGDR2PPME1RAPGEF4
SCHEMBL3971663 0.80 PTGDR2 (0.45) PTGDR2PTGDRHTR6PPME1RAPGEF4
SCHEMBL4636233 0.78 PTGDR2 (0.41) PTGDR2
SCHEMBL13881877 0.77 PTGDR2 (0.42) PTGDR2PTGDRHTR6RAPGEF4
SCHEMBL3968730 0.76 PTGDR2 (0.42) PTGDR2PTGDRHTR6PPME1RAPGEF4
SCHEMBL3327642 0.76 ALDH1A1 (0.45) PTGDR2
SCHEMBL4636743 0.75 PTGES (0.38) PTGDR2
SCHEMBL3974788 0.74 PTGDR2 (0.46) PTGDR2PTGDRPPME1RAPGEF4

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
WO-2009044134-A1 INDOLIZINE DERIVATIVES WITH CRTH2 RECEPTOR AFFINITY FOR THE TREATMENT OF INFLAMMATORY DISEASES ARGENTA DISCOVERY LIMITED (GB) 2009-04-09 WO disclosed
WO-2009044134-A1 INDOLIZINE DERIVATIVES WITH CRTH2 RECEPTOR AFFINITY FOR THE TREATMENT OF INFLAMMATORY DISEASES ARGENTA DISCOVERY LIMITED (GB) 2009-04-09 WO disclosed