SCHEMBL3971500

SCHEMBL3971500

Cc1c(CC(=O)O)c2ccc(C#N)cn2c1Cc1cccn1S(=O)(=O)c1ccccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.39
PTGDR Q13258 2/20 0.35
RAPGEF4 Q8WZA2 1/20 0.34
ALDH1A1 P00352 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
PTGES O14684 1/20 0.30
ALOX5 P09917 1/20 0.30
HTR6 P50406 1/20 0.30
MET P08581 1/20 0.30
ACLY P53396 1/20 0.30

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
SCHEMBL3964361 0.90 CYP3A4 (0.36) PTGDR2RAPGEF4
SCHEMBL3971663 0.89 PTGDR2 (0.45) PTGDR2PTGDRRAPGEF4HTR6
SCHEMBL3970095 0.87 RAPGEF4 (0.43) PTGDR2PTGDRRAPGEF4PTGESALOX5
SCHEMBL13881864 0.87 PTGDR2 (0.41) PTGDR2PTGDRRAPGEF4ALDH1A1EGLN1
SCHEMBL3968730 0.87 PTGDR2 (0.42) PTGDR2PTGDRRAPGEF4HTR6
SCHEMBL3964356 0.85 PTGDR2 (0.39) PTGDR2PTGDRRAPGEF4EGLN1HTR6
SCHEMBL3972665 0.84 PTGDR2 (0.38) PTGDR2PTGDRRAPGEF4HTR6
SCHEMBL3974788 0.84 PTGDR2 (0.46) PTGDR2PTGDRRAPGEF4
SCHEMBL3966242 0.83 PTGDR2 (0.38) PTGDR2PTGDRRAPGEF4HTR6
SCHEMBL3969343 0.82 PTGDR2 (0.39) PTGDR2PTGDRRAPGEF4HTR6

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-2009044147-A1 INDOLIZINE DERIVATIVES WITH CRTH2 RECEPTOR AFFINITY FOR THE TREATMENT OF INFLAMMATORY DISEASES ARGENTA DISCOVERY LIMITED (GB) 2009-04-09 WO disclosed