SCHEMBL6830748

SCHEMBL6830748

COCCNC(=O)C(Cc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.53
CTSK P43235 8/20 0.53
CTSB P07858 3/20 0.52
CTSL P07711 1/20 0.52
PPARG P37231 1/20 0.52
PPARA Q07869 1/20 0.52
AKT1 P31749 1/20 0.51
CA2 P00918 1/20 0.46
P4HB P07237 1/20 0.46
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
PTPN1 P18031 6/20 0.45
PTPN22 Q9Y2R2 2/20 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
SCHEMBL6802662 1.00 CTSS (0.53) CTSSCTSKCTSBCTSLPPARG
SCHEMBL6917959 0.90 CTSS (0.51) CTSSCTSKCTSBCTSLPPARG
SCHEMBL6917961 0.90 CTSS (0.51) CTSSCTSKCTSBCTSLPPARG
SCHEMBL6803334 0.89 CTSS (0.52) CTSSCTSKCTSBCTSLPPARG
SCHEMBL6803998 0.88 CTSS (0.53) CTSSCTSKCTSBCTSLPPARG
SCHEMBL6796918 0.88 CTSS (0.55) CTSSCTSKCTSBCTSLPPARG
SCHEMBL6802123 0.87 PTPN1 (0.57) CTSSCTSKCTSBCTSLPPARG
SCHEMBL6803290 0.87 PTPN1 (0.57) CTSSCTSKCTSBCTSLPPARG
SCHEMBL6802112 0.87 PTPN1 (0.57) CTSSCTSKCTSBCTSLPPARG
SCHEMBL6801918 0.86 PPARG (0.55) CTSSCTSKCTSBCTSLPPARG

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-2004074238-A1 PHENETHYLAMINO SULFAMIC ACIDS THE PROCTER & GAMBLE COMPANY (US) 2004-09-02 WO disclosed