SCHEMBL9830488

SCHEMBL9830488

CC(C)CC(NC(=O)c1cccc(S(=O)(=O)O)c1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.60
CA1 P00915 3/20 0.60
GRN P28799 3/20 0.57
SORT1 Q99523 3/20 0.57
CA12 O43570 1/20 0.53
CA9 Q16790 1/20 0.53
CTSL P07711 7/20 0.50
FOLH1 Q04609 1/20 0.50
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPK1 P28482 1/20 0.48
GAA P10253 1/20 0.48
F3 P13726 1/20 0.48
CTSB P07858 2/20 0.47
CTSS P25774 2/20 0.47
CTSK P43235 2/20 0.47

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
SCHEMBL9830491 1.00 CA2 (0.60) CA2CA1GRNSORT1CA12
SCHEMBL9831508 0.85 CA2 (0.51) CA2CA1CA12CA9ALDH1A1
SCHEMBL9831504 0.85 CA2 (0.51) CA2CA1CA12CA9ALDH1A1
SCHEMBL24283516 0.83 GRN (0.74) CA2CA1GRNSORT1CTSL
SCHEMBL24283517 0.83 GRN (0.74) CA2CA1GRNSORT1CTSL
SCHEMBL4794969 0.81 CTSL (0.71) CA2CA1GRNSORT1CTSL
SCHEMBL4159712 0.81 CTSL (0.71) CA2CA1GRNSORT1CTSL
SCHEMBL2158906 0.80 CTSL (0.67) CA2CA1GRNSORT1CA12
SCHEMBL4465251 0.80 CTSL (0.67) CA2CA1GRNSORT1CA12
SCHEMBL2158900 0.80 CTSL (0.67) CA2CA1GRNSORT1CA12

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