SCHEMBL9829708

SCHEMBL9829708

CCSCC[C@H](NC(=O)c1cccc(S(=O)(=O)O)c1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.48
CA1 P00915 3/20 0.48
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
FNTA P49354 6/20 0.44
FNTB P49356 6/20 0.44
PGGT1B P53609 3/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
METAP2 P50579 1/20 0.43
METAP1 P53582 1/20 0.43
C3AR1 Q16581 1/20 0.43

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
SCHEMBL9829699 1.00 CA2 (0.48) CA2CA1CA12CA9FNTA
SCHEMBL9831504 0.87 CA2 (0.51) CA2CA1CA12CA9ALDH1A1
SCHEMBL9831508 0.87 CA2 (0.51) CA2CA1CA12CA9ALDH1A1
SCHEMBL9831936 0.83 TAS1R3 (0.56) FNTAFNTBPGGT1BALDH1A1
SCHEMBL9831941 0.83 TAS1R3 (0.56) FNTAFNTBPGGT1BALDH1A1
SCHEMBL4955422 0.83 ALDH1A1 (0.53) CA2CA1CA12CA9FNTA
SCHEMBL9830017 0.83 ALDH1A1 (0.53) CA2CA1CA12CA9FNTA
SCHEMBL9830491 0.80 CA2 (0.60) CA2CA1CA12CA9ALDH1A1
SCHEMBL9830488 0.80 CA2 (0.60) CA2CA1CA12CA9ALDH1A1
SCHEMBL10654618 0.77 PPARG (0.50) CA2CA1ALDH1A1

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