SCHEMBL29013104

SCHEMBL29013104

CC(C)(C)OC(=O)NC(COCCc1ccsc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 7/20 0.56
▸ CTSK P43235 5/20 0.56
▸ PPARA Q07869 10/20 0.55
▸ PPARG P37231 9/20 0.53
▸ ITGB3 P05106 1/20 0.43
▸ ITGA2B P08514 1/20 0.43
▸ ACE P12821 1/20 0.43
▸ PPARD Q03181 2/20 0.43
▸ CTSL P07711 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ IDO1 P14902 1/20 0.39

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
SCHEMBL22390651 0.85 CTSS (0.57) CTSSCTSKPPARAPPARGITGB3
SCHEMBL22390650 0.85 CTSS (0.57) CTSSCTSKPPARAPPARGITGB3
SCHEMBL2782214 0.84 PPARA (0.70) CTSSCTSKPPARAPPARGITGB3
SCHEMBL27586155 0.84 PPARA (0.70) CTSSCTSKPPARAPPARGITGB3
SCHEMBL2782216 0.84 PPARA (0.70) CTSSCTSKPPARAPPARGITGB3
SCHEMBL9955736 0.83 CTSS (0.73) CTSSCTSKPPARAPPARGITGB3
SCHEMBL3811243 0.83 CTSS (0.73) CTSSCTSKPPARAPPARGITGB3
SCHEMBL1514326 0.83 CTSS (0.73) CTSSCTSKPPARAPPARGITGB3
SCHEMBL5369011 0.78 PPARA (0.67) CTSSCTSKPPARAPPARGITGB3
SCHEMBL22390724 0.77 CTSS (0.53) CTSSCTSKPPARAPPARGITGB3

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-116253864-A Application of conjugated polyelectrolyte material with amino acid groups in perovskite solar cell 南京工业大学 2023-06-13 — — CN disclosed
Send feedback