SCHEMBL9828876

SCHEMBL9828876

CCCCOC(=O)N[C@@H](Cc1cccc(C)c1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.53
ITGB3 P05106 11/20 0.50
ITGAV P06756 4/20 0.50
CTSK P43235 2/20 0.49
CTSL P07711 1/20 0.49
CTSS P25774 1/20 0.49
ITGB1 P05556 1/20 0.49
ITGA4 P13612 1/20 0.49
POLB P06746 1/20 0.49
ITGA2B P08514 7/20 0.47
ACE P12821 2/20 0.46
ACE2 Q9BYF1 2/20 0.46
FOLH1 Q04609 1/20 0.45

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
SCHEMBL5085780 1.00 CTSB (0.53) CTSBITGB3ITGAVCTSKCTSL
SCHEMBL29542801 0.88 ITGB3 (0.50) ITGB3ITGAVCTSKCTSLCTSS
SCHEMBL2928358 0.88 ITGB3 (0.50) ITGB3ITGAVCTSKCTSLCTSS
SCHEMBL4121793 0.88 ITGB3 (0.50) ITGB3ITGAVCTSKCTSLCTSS
SCHEMBL2185240 0.87 ITGB3 (0.58) ITGB3CTSKCTSLCTSSITGB1
SCHEMBL844471 0.87 ITGB3 (0.58) ITGB3CTSKCTSLCTSSITGB1
SCHEMBL7758997 0.87 ITGB3 (0.58) ITGB3CTSKCTSLCTSSITGB1
SCHEMBL5085119 0.87 CTSK (0.50) ITGB3ITGAVCTSKCTSSITGA2B
SCHEMBL5500451 0.87 CTSL (0.50) ITGB3ITGAVCTSLITGA2BACE
SCHEMBL4682778 0.87 ITGB3 (0.47) ITGB3ITGAVCTSKITGB1ITGA4

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