SCHEMBL3970095

SCHEMBL3970095

Cc1c(CC(=O)O)c2ccc(C#N)cn2c1Cc1cccn1S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 2/20 0.43
PTGDR2 Q9Y5Y4 11/20 0.41
PTGDR Q13258 3/20 0.41
PPME1 Q9Y570 2/20 0.37
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
PTGES O14684 2/20 0.34
ALOX5 P09917 2/20 0.34
HTR6 P50406 1/20 0.33
FLT1 P17948 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 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
SCHEMBL3968730 0.95 PTGDR2 (0.42) RAPGEF4PTGDR2PTGDRPPME1HTR6
SCHEMBL3971663 0.93 PTGDR2 (0.45) RAPGEF4PTGDR2PTGDRPPME1HTR6
SCHEMBL3972665 0.92 PTGDR2 (0.38) RAPGEF4PTGDR2PTGDRPPME1HTR6
SCHEMBL3974788 0.92 PTGDR2 (0.46) RAPGEF4PTGDR2PTGDRPPME1
SCHEMBL3964356 0.91 PTGDR2 (0.39) RAPGEF4PTGDR2PTGDRPPME1HTR6
SCHEMBL3967149 0.90 RAPGEF4 (0.42) RAPGEF4PTGDR2PTGDRPPME1AKR1C3
SCHEMBL3966242 0.90 PTGDR2 (0.38) RAPGEF4PTGDR2PTGDRPPME1HTR6
SCHEMBL3969343 0.89 PTGDR2 (0.39) RAPGEF4PTGDR2PTGDRPPME1HTR6
SCHEMBL3971500 0.87 PTGDR2 (0.39) RAPGEF4PTGDR2PTGDRPTGESALOX5
SCHEMBL3968885 0.85 PPME1 (0.37) RAPGEF4PTGDR2PPME1AKR1C3AKR1C2

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