SCHEMBL9828862

SCHEMBL9828862

COc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.64
CTSL P07711 11/20 0.64
CTSK P43235 8/20 0.64
TAS1R3 Q7RTX0 1/20 0.53
TAS1R1 Q7RTX1 1/20 0.53
ANPEP P15144 2/20 0.52
CTSB P07858 2/20 0.50

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
SCHEMBL9828850 1.00 CTSS (0.64) CTSSCTSLCTSKTAS1R3TAS1R1
SCHEMBL28022564 0.88 CTSS (0.64) CTSSCTSLCTSKTAS1R3TAS1R1
SCHEMBL9829685 0.85 CTSL (0.67) CTSSCTSLCTSKCTSB
SCHEMBL9829689 0.85 CTSL (0.67) CTSSCTSLCTSKCTSB
SCHEMBL24555259 0.84 CA2 (0.52) TAS1R3TAS1R1
SCHEMBL10953342 0.83 CA2 (0.60) CTSSCTSLCTSK
SCHEMBL5637591 0.83 CA2 (0.58) TAS1R3TAS1R1
SCHEMBL9829827 0.83 CA2 (0.58) TAS1R3TAS1R1
SCHEMBL6183291 0.82 CTSL (0.75) CTSSCTSLCTSKCTSB
SCHEMBL9830112 0.78 CA2 (0.58) CTSSCTSLCTSKTAS1R3TAS1R1

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