SCHEMBL9830940

SCHEMBL9830940

COc1ccc(COC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.53
▸ ITGB3 P05106 13/20 0.48
▸ ITGA2B P08514 13/20 0.48
▸ HDAC8 Q9BY41 1/20 0.47
▸ ITGA4 P13612 1/20 0.46
▸ ITGB7 P26010 1/20 0.46
▸ CTSL P07711 1/20 0.46
▸ CTSS P25774 1/20 0.46
▸ CTSK P43235 1/20 0.46
▸ PTPN1 P18031 1/20 0.45
▸ ITGAV P06756 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44

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
SCHEMBL9830929 1.00 ATM (0.53) ATMITGB3ITGA2BHDAC8ITGA4
SCHEMBL7383353 0.94 ATM (0.47) ATMITGB3ITGA2BHDAC8ITGA4
SCHEMBL7382971 0.92 ATM (0.48) ATMITGB3ITGA2BHDAC8CTSL
SCHEMBL7385168 0.89 HDAC8 (0.47) ATMITGB3ITGA2BHDAC8CTSL
SCHEMBL24795018 0.88 ITGB3 (0.53) ITGB3ITGA2BCTSLCTSSCTSK
SCHEMBL4178755 0.88 ITGB3 (0.53) ITGB3ITGA2BCTSLCTSSCTSK
SCHEMBL254638 0.88 ITGB3 (0.53) ITGB3ITGA2BCTSLCTSSCTSK
SCHEMBL7374762 0.86 MMP3 (0.43) ITGB3ITGA2BHDAC8CTSLCTSS
SCHEMBL10477854 0.84 CTSK (0.50) ATMHDAC8CTSLCTSSCTSK
SCHEMBL8772939 0.83 LDHA (0.45) HDAC8PTPN1ALDH1A1

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
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