SCHEMBL9829792

SCHEMBL9829792

O=C(Cc1ccccc1)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 2/20 0.49
▸ ITGA2B P08514 1/20 0.49
▸ CNR2 P34972 3/20 0.44
▸ CTSL P07711 1/20 0.44
▸ CTSB P07858 1/20 0.44
▸ CTSS P25774 1/20 0.44
▸ PSMB8 P28062 1/20 0.44
▸ PSMB5 P28074 1/20 0.44
▸ ACE P12821 1/20 0.41
▸ GPR34 Q9UPC5 1/20 0.41
▸ PIN1 Q13526 1/20 0.41
▸ SHMT1 P34896 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ GPR132 Q9UNW8 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41

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
SCHEMBL9829783 1.00 ITGB3 (0.49) ITGB3ITGA2BCNR2CTSLCTSB
SCHEMBL9829848 0.92 SLC6A9 (0.45) ITGB3ITGA2BCTSLCTSBCTSS
SCHEMBL9829868 0.92 SLC6A9 (0.45) ITGB3ITGA2BCTSLCTSBCTSS
SCHEMBL10769022 0.90 ITGB3 (0.49) ITGB3ITGA2BACEGPR34SHMT1
SCHEMBL10827295 0.88 PIN1 (0.56) ITGB3ITGA2BACEPIN1CYP1A2
SCHEMBL10521313 0.85 P2RY14 (0.51) PSMB5GPR34MEN1KMT2A
SCHEMBL10826528 0.85 MME (0.52) ACE
SCHEMBL4177756 0.84 ACE (0.46) ITGB3ITGA2BACE
SCHEMBL16673455 0.84 ACE (0.46) ITGB3ITGA2BACE
SCHEMBL2475014 0.84 ACE (0.43) ACE

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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