SCHEMBL9830977

SCHEMBL9830977

Cc1cccc(C[C@H](NC(=O)c2ccccc2)C(=O)O)c1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSB P07858 6/20 0.72
ACE P12821 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.60
CTSL P07711 4/20 0.60
CTSS P25774 2/20 0.60
CTSK P43235 2/20 0.60
GPR132 Q9UNW8 1/20 0.58
PTPN1 P18031 2/20 0.58
CTSV O60911 1/20 0.56
CA2 P00918 2/20 0.55
CA1 P00915 1/20 0.55

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
SCHEMBL4177752 0.92 GPR132 (0.65) CTSBACEL3MBTL1CTSLCTSS
SCHEMBL4798353 0.92 GPR132 (0.65) CTSBACEL3MBTL1CTSLCTSS
SCHEMBL9829121 0.90 CTSB (0.60) CTSBACEL3MBTL1CTSLCTSS
SCHEMBL28068999 0.87 L3MBTL1 (0.56) CTSBACEL3MBTL1CTSLCTSS
SCHEMBL23279720 0.86 CTSL (0.57) CTSBACEL3MBTL1CTSLCTSS
SCHEMBL23279723 0.86 CTSL (0.57) CTSBACEL3MBTL1CTSLCTSS
SCHEMBL9829507 0.85 CTSB (0.55) CTSBACEL3MBTL1CTSLCTSS
SCHEMBL111236 0.85 ACE (0.76) ACEL3MBTL1CTSLCTSSCTSK
SCHEMBL528464 0.85 ACE (0.76) ACEL3MBTL1CTSLCTSSCTSK
SCHEMBL111235 0.85 ACE (0.76) ACEL3MBTL1CTSLCTSSCTSK

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