SCHEMBL7134683

SCHEMBL7134683

CC(C)(C)OC(=O)NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1.CCCc1ccc(CC(=O)N[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)NCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.52
CTSK P43235 7/20 0.52
CTSB P07858 4/20 0.52
CTSL P07711 4/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PSMB1 P20618 1/20 0.48
PSMB8 P28062 1/20 0.48
PSMB9 P28065 1/20 0.48
PSMB5 P28074 1/20 0.48
PSMB10 P40306 1/20 0.48
PSMB2 P49721 1/20 0.48
ITGA4 P13612 1/20 0.47
ITGB7 P26010 1/20 0.47
REN P00797 1/20 0.47
BCL2 P10415 1/20 0.47
AKT1 P31749 1/20 0.47
ACE P12821 1/20 0.46
PPARG P37231 1/20 0.45
PPARA Q07869 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
SCHEMBL6803131 0.91 MEN1 (0.60) CTSSCTSBCTSLMEN1KMT2A
SCHEMBL6803124 0.91 MEN1 (0.60) CTSSCTSBCTSLMEN1KMT2A
SCHEMBL6803127 0.89 CTSS (0.63) CTSSCTSKCTSBCTSLPSMB1
SCHEMBL6803119 0.89 CTSS (0.63) CTSSCTSKCTSBCTSLPSMB1
SCHEMBL6803382 0.89 CTSS (0.63) CTSSCTSKCTSBCTSLPSMB1
SCHEMBL18830579 0.84 CTSS (0.61) CTSSCTSKCTSBCTSLITGA4
SCHEMBL6800465 0.82 CTSS (0.58) CTSSCTSKCTSBCTSLBCL2
SCHEMBL6800473 0.82 CTSS (0.58) CTSSCTSKCTSBCTSLBCL2
SCHEMBL6796552 0.80 PTPN1 (0.65) CTSSCTSKCTSBCTSLAKT1
SCHEMBL3383006 0.80 CTSS (0.77) CTSSCTSKCTSBCTSLREN

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