SCHEMBL25216680

SCHEMBL25216680

CC(C)(C)OC(=O)N[C@H](Cc1ccncc1Cl)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.47
PPARA Q07869 4/20 0.46
PPARG P37231 3/20 0.45
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
ITGA4 P13612 1/20 0.44
ITGB7 P26010 1/20 0.44
CTSS P25774 4/20 0.43
CTSK P43235 4/20 0.43
SCN9A Q15858 1/20 0.43
CYP3A4 P08684 5/20 0.43
ITGB2 P05107 1/20 0.42
ICAM1 P05362 1/20 0.42
ITGAL P20701 1/20 0.42
PTPN1 P18031 1/20 0.42

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
SCHEMBL25269073 1.00 ACE (0.47) ACEPPARAPPARGITGB3ITGA2B
SCHEMBL25219574 1.00 ACE (0.47) ACEPPARAPPARGITGB3ITGA2B
SCHEMBL30461868 0.89 KLK5 (0.43) CTSSCTSKSCN9ACYP3A4
SCHEMBL30461885 0.89 KLK5 (0.43) CTSSCTSKSCN9ACYP3A4
SCHEMBL25216220 0.85 ITGA4 (0.52) ACEPPARAPPARGITGB3ITGA2B
SCHEMBL25268681 0.85 ITGA4 (0.52) ACEPPARAPPARGITGB3ITGA2B
SCHEMBL29908039 0.83 ACE (0.57) ACEPPARAPPARGITGB3ITGA2B
SCHEMBL1350266 0.83 ACE (0.57) ACEPPARAPPARGITGB3ITGA2B
SCHEMBL1350265 0.83 ACE (0.57) ACEPPARAPPARGITGB3ITGA2B
SCHEMBL3485116 0.83 ACE (0.57) ACEPPARAPPARGITGB3ITGA2B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023107597-A2 BICYCLIC HETEROAROMATIC AMIDE COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 WO disclosed