SCHEMBL8205298

SCHEMBL8205298

CC(=O)N[C@@H](CO)C(=O)NCc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.74
CA1 P00915 1/20 0.74
CA2 P00918 1/20 0.74
CA3 P07451 1/20 0.74
CA4 P22748 1/20 0.74
CA6 P23280 1/20 0.74
CA5A P35218 1/20 0.74
CA7 P43166 1/20 0.74
CACNA1C Q13936 1/20 0.74
SCN9A Q15858 1/20 0.74
CA9 Q16790 1/20 0.74
CA13 Q8N1Q1 1/20 0.74
CA14 Q9ULX7 1/20 0.74
CA5B Q9Y2D0 1/20 0.74
ALDH1A1 P00352 1/20 0.63
MMP8 P22894 3/20 0.62
CTSS P25774 1/20 0.57
CTSK P43235 1/20 0.57
EGFR P00533 1/20 0.56
SRC P12931 1/20 0.56

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
SCHEMBL47275 1.00 CA12 (0.74) CA12CA1CA2CA3CA4
SCHEMBL1697369 1.00 CA12 (0.74) CA12CA1CA2CA3CA4
SCHEMBL1895974 0.88 CA1 (0.70) CA12CA1CA2CA3CA4
SCHEMBL12240240 0.88 CA12 (0.74) CA12CA1CA2CA3CA4
SCHEMBL2742289 0.88 CA12 (0.74) CA12CA1CA2CA3CA4
SCHEMBL2606494 0.88 CA12 (0.74) CA12CA1CA2CA3CA4
SCHEMBL12840933 0.87 CA12 (0.62) CA12CA1CA2CA3CA4
SCHEMBL20720018 0.87 MMP8 (0.61) CA12CA1CA2CA3CA4
SCHEMBL12505312 0.87 MMP8 (0.61) CA12CA1CA2CA3CA4
SCHEMBL7356728 0.86 CA12 (0.72) CA12CA1CA2CA3CA4

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-6133261-A THERAPEUTIC METHOD FOR TREATING OR PREVENTING STROKE AND OTHER ISCHEMIC DISORDERS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 2000-10-17 US disclosed