SCHEMBL29019458

SCHEMBL29019458

CC(C)(C)OC(=O)NC(Cc1ccc(N)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
ITGA4 P13612 1/20 0.46
ITGB7 P26010 1/20 0.46
BCL2 P10415 4/20 0.44
MCL1 Q07820 1/20 0.44
GSTP1 P09211 1/20 0.43
GSTM2 P28161 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CTSS P25774 7/20 0.43
CTSK P43235 6/20 0.43
CTSB P07858 2/20 0.43
ACE P12821 1/20 0.42
ADRB2 P07550 1/20 0.42
AAK1 Q2M2I8 1/20 0.41
KLK5 Q9Y337 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
SCHEMBL29529209 1.00 PPARG (0.46) PPARGPPARAITGA4ITGB7BCL2
SCHEMBL21639273 0.91 PPARA (0.53) PPARGPPARABCL2MCL1ALDH1A1
SCHEMBL21639274 0.91 PPARA (0.53) PPARGPPARABCL2MCL1ALDH1A1
SCHEMBL31757487 0.86 ITGA4 (0.49) PPARGPPARAITGA4ITGB7BCL2
SCHEMBL29529273 0.85 CTSS (0.48) CTSSCTSKCTSBACEAAK1
SCHEMBL28353206 0.85 CTSS (0.48) CTSSCTSKCTSBACEAAK1
SCHEMBL30912525 0.84 PPARG (0.59) PPARGPPARAITGA4ITGB7ALDH1A1
SCHEMBL3784750 0.84 PPARG (0.59) PPARGPPARAITGA4ITGB7ALDH1A1
SCHEMBL6674404 0.84 PPARG (0.59) PPARGPPARAITGA4ITGB7ALDH1A1
SCHEMBL29528955 0.83 CTSS (0.48) CTSSCTSKCTSBACEAAK1

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
CN-110475785-B Peptide compound, method for producing same, composition for screening, and method for selecting peptide compound 富士胶片株式会社 2023-06-13 CN disclosed