SCHEMBL6830382

SCHEMBL6830382

CC(C)(C)OC(=O)NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)N(CCc1ccc(O)cc1)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.47
CTSK P43235 5/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
CTSL P07711 3/20 0.40
CA2 P00918 1/20 0.38
BCL2 P10415 2/20 0.38
CTSB P07858 1/20 0.38
MCL1 Q07820 1/20 0.38

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
SCHEMBL6830779 0.93 PPARG (0.49) CTSSCTSKPPARGPPARAITGA4
SCHEMBL6831632 0.83 PTPRB (0.47) CTSSCTSK
SCHEMBL6807847 0.83 CTSS (0.48) CTSSCTSKPPARGPPARAITGA4
SCHEMBL6830383 0.82 MMP2 (0.40) PPARGPPARA
SCHEMBL6803380 0.81 CTSS (0.57) CTSSCTSKPPARGPPARAITGA4
SCHEMBL6803377 0.81 CTSS (0.57) CTSSCTSKPPARGPPARAITGA4
SCHEMBL6804068 0.80 PPARG (0.56) CTSSCTSKPPARGPPARAITGA4
SCHEMBL6804057 0.80 PPARG (0.56) CTSSCTSKPPARGPPARAITGA4
SCHEMBL4714186 0.80 PPARG (0.58) CTSSCTSKPPARGPPARAITGA4
SCHEMBL500111 0.80 PPARG (0.58) CTSSCTSKPPARGPPARAITGA4

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