SCHEMBL14999999

SCHEMBL14999999

COc1ccc(C(=O)c2ncc(CC(=O)O)c3ccccc23)cc1

nearest known ligand 0.82

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.82

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
SCHEMBL2484047 0.89 PTGDR2 (0.70) PTGDR2
SCHEMBL15000137 0.84 PTGDR2 (0.70) PTGDR2
SCHEMBL1368606 0.82 PTGDR2 (0.67) PTGDR2
SCHEMBL1368157 0.81 SMN1; SMN2 (0.60) PTGDR2
SCHEMBL1366800 0.80 PTGDR2 (0.61) PTGDR2
SCHEMBL14999732 0.79 PTGDR2 (0.74) PTGDR2
SCHEMBL1369469 0.79 PTGDR2 (1.00) PTGDR2
SCHEMBL1366526 0.78 PTGDR2 (1.00) PTGDR2
SCHEMBL1368371 0.78 PTGDR2 (0.73) PTGDR2
SCHEMBL14999730 0.78 PTGDR2 (0.53) 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
US-8461329-B2 Isoquinoline derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-11 US disclosed