SCHEMBL9828843

SCHEMBL9828843

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

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.52
ITGB1 P05556 1/20 0.52
ITGAV P06756 1/20 0.52
ITGA2B P08514 1/20 0.52
ITGB5 P18084 1/20 0.52
POLB P06746 1/20 0.50
FOLH1 Q04609 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CTSL P07711 3/20 0.47
CTSS P25774 3/20 0.47
CTSK P43235 2/20 0.47
CTSB P07858 5/20 0.47
ACE P12821 5/20 0.47
MME P08473 3/20 0.46
CPA1 P15085 3/20 0.46
ACE2 Q9BYF1 3/20 0.46
NOS2 P35228 1/20 0.44
FPR2 P25090 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
SCHEMBL3719401 0.86 ACE (0.57) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL3719400 0.86 ACE (0.57) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL28068999 0.84 L3MBTL1 (0.56) POLBFOLH1L3MBTL1CTSLCTSS
SCHEMBL18837326 0.83 ITGB1 (0.53) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL16423 0.83 ACE (0.65) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL13536744 0.83 CTSK (0.62) ITGB3ITGAVITGA2BPOLBCTSL
SCHEMBL268723 0.83 ACE (0.65) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL268722 0.83 ACE (0.65) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL29907894 0.83 ACE (0.65) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL9828630 0.82 TACR1 (0.58) ITGB1POLBFOLH1L3MBTL1CTSL

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