SCHEMBL9831597

SCHEMBL9831597

CCSCC[C@H](NC(=O)c1ccc(C)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.53
CA1 P00915 6/20 0.53
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
ALDH1A1 P00352 2/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
METAP2 P50579 1/20 0.43
METAP1 P53582 1/20 0.43
HPGD P15428 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
SCHEMBL9831590 1.00 CA2 (0.53) CA2CA1CA12CA9ALDH1A1
SCHEMBL9831247 0.89 CA2 (0.53) CA2CA1CA12CA9ALDH1A1
SCHEMBL9831250 0.89 CA2 (0.53) CA2CA1CA12CA9ALDH1A1
SCHEMBL4955422 0.89 ALDH1A1 (0.53) CA2CA1CA12CA9ALDH1A1
SCHEMBL9830017 0.89 ALDH1A1 (0.53) CA2CA1CA12CA9ALDH1A1
SCHEMBL9829504 0.88 CA2 (0.55) CA2CA1CA12CA9ALDH1A1
SCHEMBL9829499 0.88 CA2 (0.55) CA2CA1CA12CA9ALDH1A1
SCHEMBL9830237 0.86 CA2 (0.70) CA2CA1CA12CA9ALDH1A1
SCHEMBL9830233 0.86 CA2 (0.70) CA2CA1CA12CA9ALDH1A1
SCHEMBL9831941 0.84 TAS1R3 (0.56) ALDH1A1USP2TP53ALOX15MAPK1

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