SCHEMBL3967596

SCHEMBL3967596

Cc1c(CC(=O)O)c2ccc(C#N)cn2c1Cc1ccccc1S(=O)(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 16/20 0.50
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
PTGDR Q13258 1/20 0.35
EEF2K O00418 1/20 0.34
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33

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
SCHEMBL3968672 0.91 PTGDR2 (0.40) PTGDR2AKR1C3AKR1C2TRPM8TRPV4
SCHEMBL3973023 0.86 PTGDR2 (0.66) PTGDR2
SCHEMBL3968057 0.82 PTGDR2 (0.59) PTGDR2
SCHEMBL3967115 0.77 PTGDR2 (0.48) PTGDR2PTGDREEF2K
SCHEMBL3965620 0.77 PTGDR2 (0.54) PTGDR2
SCHEMBL3971500 0.76 PTGDR2 (0.39) PTGDR2PTGESALOX5PTGDR
SCHEMBL3970095 0.73 RAPGEF4 (0.43) PTGDR2PTGESALOX5PTGDRAKR1C3
SCHEMBL3964356 0.73 PTGDR2 (0.39) PTGDR2PTGDR
SCHEMBL3969463 0.73 PTGDR2 (0.47) PTGDR2
SCHEMBL3967747 0.73 PTGDR2 (0.46) PTGDR2PTGDREEF2K

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