SCHEMBL9830498

SCHEMBL9830498

CSCCC(NC(=O)c1ccc(N)cc1)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.72
CA1 P00915 3/20 0.72
CA12 O43570 2/20 0.60
CA9 Q16790 2/20 0.60
ALDH1A1 P00352 3/20 0.56
NPSR1 Q6W5P4 1/20 0.56
USP2 O75604 1/20 0.56
TP53 P04637 1/20 0.56
ALOX15 P16050 1/20 0.56
MAPK1 P28482 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
FOLH1 Q04609 1/20 0.54
MEN1 O00255 1/20 0.52
CRHBP P24387 1/20 0.52
KMT2A Q03164 1/20 0.52
CRHR2 Q13324 1/20 0.52
FNTA P49354 2/20 0.51
FNTB P49356 2/20 0.51
PGGT1B P53609 2/20 0.51

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
SCHEMBL9432949 1.00 CA2 (0.72) CA2CA1CA12CA9ALDH1A1
SCHEMBL175403 0.90 CA2 (0.61) CA2CA1CA12CA9ALDH1A1
Cysteine SCHEMBL8365455 0.89 CA2 (0.60) CA2CA1CA12CA9ALDH1A1
SCHEMBL9830233 0.87 CA2 (0.70) CA2CA1CA12CA9ALDH1A1
SCHEMBL9830237 0.87 CA2 (0.70) CA2CA1CA12CA9ALDH1A1
SCHEMBL9461939 0.87 CA2 (0.69) CA2CA1CA12CA9ALDH1A1
SCHEMBL1158033 0.87 CA2 (0.69) CA2CA1CA12CA9ALDH1A1
SCHEMBL1158031 0.87 CA2 (0.69) CA2CA1CA12CA9ALDH1A1
SCHEMBL8106910 0.86 L3MBTL1 (0.74) CA2CA1CA12CA9USP2
SCHEMBL8367884 0.86 L3MBTL1 (0.74) CA2CA1CA12CA9USP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP disclosed