SCHEMBL9829499

SCHEMBL9829499

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

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 15/20 0.55
CA1 P00915 7/20 0.55
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL9829504 1.00 CA2 (0.55) CA2CA1CA12CA9NPC1
SCHEMBL9831590 0.88 CA2 (0.53) CA2CA1CA12CA9USP2
SCHEMBL9831250 0.88 CA2 (0.53) CA2CA1CA12CA9USP2
SCHEMBL9831247 0.88 CA2 (0.53) CA2CA1CA12CA9USP2
SCHEMBL9831597 0.88 CA2 (0.53) CA2CA1CA12CA9USP2
SCHEMBL9830017 0.87 ALDH1A1 (0.53) CA2CA1CA12CA9NPC1
SCHEMBL4955422 0.87 ALDH1A1 (0.53) CA2CA1CA12CA9NPC1
SCHEMBL9432949 0.86 CA2 (0.72) CA2CA1CA12CA9USP2
SCHEMBL9830498 0.86 CA2 (0.72) CA2CA1CA12CA9USP2
SCHEMBL9828943 0.82 CA2 (0.52) CA2CA1CA12CA9ALDH1A1

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