SCHEMBL9829809

SCHEMBL9829809

CCOC(=O)NC(C(=O)NC(CCSC)C(=O)O)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FNTA P49354 8/20 0.46
FNTB P49356 8/20 0.46
METAP2 P50579 1/20 0.42
METAP1 P53582 1/20 0.42
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
BACE1 P56817 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL9829817 1.00 FNTA (0.46) FNTAFNTBMETAP2METAP1ALDH1A1
SCHEMBL4957200 0.86 ALDH1A1 (0.49) METAP2METAP1ALDH1A1NPSR1LMNA
SCHEMBL4957204 0.86 ALDH1A1 (0.49) METAP2METAP1ALDH1A1NPSR1LMNA
Hydrochloric Acid SCHEMBL27865037 0.84 ALDH1A1 (0.48) METAP2METAP1ALDH1A1NPSR1LMNA
Water SCHEMBL27588204 0.84 ALDH1A1 (0.48) METAP2METAP1ALDH1A1NPSR1LMNA
SCHEMBL10754006 0.82 FNTA (0.56) FNTAFNTB
SCHEMBL9830412 0.81 ALDH1A1 (0.47) ALDH1A1LMNA
SCHEMBL9830409 0.81 ALDH1A1 (0.47) ALDH1A1LMNA
SCHEMBL12479817 0.81 FOLH1 (0.51) METAP2METAP1ALDH1A1BACE1LMNA
SCHEMBL30051883 0.80 FNTA (0.53) FNTAFNTBLMNA

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