SCHEMBL3971980

SCHEMBL3971980

Cc1c(CC(=O)O)c2ccc(C#N)cn2c1Cc1sccc1[S+]([O-])c1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.36
PTGDR Q13258 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
SCHEMBL3970488 0.91 SMN1; SMN2 (0.32)
SCHEMBL3968452 0.83 PTGDR2 (0.46) PTGDR2PTGDR
SCHEMBL3967762 0.82 PTGDR2 (0.38) PTGDR2PTGDR
SCHEMBL3971882 0.78 PTGDR2 (0.46) PTGDR2PTGDR
SCHEMBL3964681 0.76 PTGDR2 (0.46) PTGDR2PTGDR
SCHEMBL3967751 0.74 PTGDR2 (0.39) PTGDR2PTGDR
SCHEMBL3968952 0.74 PTGDR2 (0.43) PTGDR2PTGDR
SCHEMBL3969346 0.73 MEN1 (0.32)
SCHEMBL3968057 0.72 PTGDR2 (0.59) PTGDR2
SCHEMBL3974788 0.72 PTGDR2 (0.46) PTGDR2PTGDR

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