SCHEMBL31407473

SCHEMBL31407473

CC(C)(C)OC(=O)N[C@@H](Cc1ccc2cccnc2c1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.57
CTSS P25774 7/20 0.55
CTSK P43235 6/20 0.55
CTSB P07858 4/20 0.55
ACE P12821 1/20 0.54
ITGB3 P05106 2/20 0.52
ITGA2B P08514 2/20 0.52
PPARA Q07869 5/20 0.47
PPARG P37231 4/20 0.47
ITGB1 P05556 1/20 0.46
ITGAV P06756 1/20 0.46
ITGB5 P18084 1/20 0.46
PPARD Q03181 2/20 0.46
CYP3A4 P08684 1/20 0.46
SCN9A Q15858 1/20 0.46
CTSL P07711 1/20 0.46
ITGA4 P13612 1/20 0.46
ITGB7 P26010 1/20 0.46

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
SCHEMBL2300108 0.91 PTPN1 (0.57) PTPN1CTSSCTSKCTSBACE
SCHEMBL5781195 0.91 PTPN1 (0.57) PTPN1CTSSCTSKCTSBACE
SCHEMBL31407747 0.91 PTPN1 (0.57) PTPN1CTSSCTSKCTSBACE
SCHEMBL31407756 0.91 PTPN1 (0.57) PTPN1CTSSCTSKCTSBACE
SCHEMBL29401906 0.84 CTSS (0.74) PTPN1CTSSCTSKCTSBACE
SCHEMBL29436862 0.84 CTSS (0.74) PTPN1CTSSCTSKCTSBACE
SCHEMBL29481445 0.84 CTSS (0.74) PTPN1CTSSCTSKCTSBACE
SCHEMBL1519731 0.84 CTSS (0.74) PTPN1CTSSCTSKCTSBACE
SCHEMBL3821361 0.84 CTSS (0.74) PTPN1CTSSCTSKCTSBACE
SCHEMBL29397962 0.84 CTSS (0.74) PTPN1CTSSCTSKCTSBACE

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
EP-4534524-A1 AMINO ACID ACTIVE ESTER AND SALT THEREOF PeptiDream Inc. (JP) 2025-04-09 EP disclosed