SCHEMBL31407522

SCHEMBL31407522

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1C(N)=O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.55
▸ CTSS P25774 7/20 0.53
▸ CTSK P43235 6/20 0.53
▸ PPARA Q07869 5/20 0.50
▸ PPARG P37231 4/20 0.50
▸ PTPN1 P18031 1/20 0.50
▸ SCN9A Q15858 1/20 0.49
▸ PPARD Q03181 2/20 0.48
▸ CTSL P07711 1/20 0.48
▸ CTSB P07858 1/20 0.48
▸ ITGB3 P05106 2/20 0.47
▸ ITGA2B P08514 2/20 0.47
▸ IDO1 P14902 1/20 0.47
▸ ITGB1 P05556 1/20 0.46
▸ ITGAV P06756 1/20 0.46
▸ ITGB5 P18084 1/20 0.46
▸ APP P05067 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
SCHEMBL31407438 1.00 ACE (0.55) ACECTSSCTSKPPARAPPARG
SCHEMBL4996844 0.86 PPARA (0.64) ACECTSSCTSKPPARAPPARG
SCHEMBL4996856 0.86 PPARA (0.64) ACECTSSCTSKPPARAPPARG
SCHEMBL17912391 0.85 CTSS (0.57) ACECTSSCTSKPPARAPPARG
SCHEMBL22469289 0.85 CTSS (0.57) ACECTSSCTSKPPARAPPARG
SCHEMBL31287287 0.85 CTSS (0.57) ACECTSSCTSKPPARAPPARG
SCHEMBL17912388 0.85 CTSS (0.57) ACECTSSCTSKPPARAPPARG
SCHEMBL8527301 0.84 ACE (0.52) ACECTSSCTSKPPARAPPARG
SCHEMBL9848831 0.84 CTSK (0.46) ACECTSSCTSKCTSLCTSB
SCHEMBL269930 0.83 ACE (0.58) ACECTSSCTSKPPARAPPARG

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
Send feedback