SCHEMBL12433331

SCHEMBL12433331

Cc1nn(Cc2ccc(C(N)=O)cc2)c(C)c1CC(=O)O

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.72

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
SCHEMBL28379569 0.86 PTGDR2 (0.70) PTGDR2
SCHEMBL11255782 0.85 PTGDR2 (0.80) PTGDR2
SCHEMBL509015 0.85 PTGDR2 (0.81) PTGDR2
SCHEMBL508501 0.84 PTGDR2 (1.00) PTGDR2
SCHEMBL18403818 0.82 PTGDR2 (0.72) PTGDR2
SCHEMBL12818279 0.81 PTGDR2 (0.68) PTGDR2
SCHEMBL8510942 0.81 PTGDR2 (1.00) PTGDR2
SCHEMBL8510966 0.80 PTGDR2 (0.74) PTGDR2
SCHEMBL8512689 0.80 PTGDR2 (1.00) PTGDR2
SCHEMBL15891037 0.80 PTGDR2 (0.88) PTGDR2

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-2011092140-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 WO disclosed