SCHEMBL7354760

SCHEMBL7354760

CC(C)(C)OC(=O)N[C@@H](CCc1ccccc1)C(=O)[C]=Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.53
CTSS P25774 4/20 0.53
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
CTSL P07711 7/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CTSB P07858 1/20 0.43
MAPT P10636 2/20 0.42
ITGA4 P13612 1/20 0.42
ITGB7 P26010 1/20 0.42

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
SCHEMBL7357815 0.94 CTSL (0.51) CTSKCTSSPPARGPPARACTSL
SCHEMBL8516496 0.84 CTSL (0.49) CTSKCTSSPPARGPPARACTSL
SCHEMBL8366516 0.80 MMP2 (0.48) CTSLMEN1KMT2AMAPT
SCHEMBL7455999 0.80 CTSL (0.50) CTSKCTSSPPARGPPARACTSL
SCHEMBL7351108 0.76 MAPT (0.47) MEN1KMT2AMAPT
SCHEMBL1196166 0.76 MAPT (0.59) CTSKCTSSPPARGPPARACTSL
SCHEMBL1196169 0.76 MAPT (0.59) CTSKCTSSPPARGPPARACTSL
SCHEMBL181807 0.74 CTSK (0.71) CTSKCTSSPPARGPPARACTSL
SCHEMBL181775 0.74 CTSK (0.71) CTSKCTSSPPARGPPARACTSL
SCHEMBL181808 0.74 CTSK (0.71) CTSKCTSSPPARGPPARACTSL

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6287840-B1 PEPTIDOMIMETICS; COUPLING, DEBLOCKING; ANTIARTHRITIC, ANTITUMOR, ANTICARCINOGENIC, AND ANTIMETASTASIS AGENTS; MUSCULAR DYSTROPHY, GLOMERULONEPHRITIS, MALARIA, ALZHEIMER*S DISEASE AXYS PHARMACEUTICALS, INC. 2001-09-11 US disclosed
US-5976858-A (S)-(E)-3-(4-MORPHOLINE-CARBONYLLEUCYL)AMINO-5-PHENYL-1-PHENYL SULFONYL-1-PENTENE AND OTHERS; ANTIARTHRITIS/ANTITUMOR/ ANTIINFLAMMATORY/ANTIMETASTASIS AGENTS; TREATMENT OF MUSCULAR DYSTROPHY, MALARIA, ALZHEIMER'S AND AUTOIMMUNE DISEASES ARRIS PHARMACEUTICALS (US) 1999-11-02 US disclosed
EP-0756625-A4 IRREVERSIBLE CYSTEINE PROTEASE INHIBITORS CONTAINING VINYL GROUPS CONJUGATED TO ELECTRON WITHDRAWING GROUPS ARRIS PHARM CORP (US) 1999-07-28 EP disclosed
EP-0756625-A1 IRREVERSIBLE CYSTEINE PROTEASE INHIBITORS CONTAINING VINYL GROUPS CONJUGATED TO ELECTRON WITHDRAWING GROUPS ARRIS PHARMACEUTICAL CORPORATION (US) 1997-02-05 EP disclosed
WO-1995023222-A1 IRREVERSIBLE CYSTEINE PROTEASE INHIBITORS CONTAINING VINYL GROUPS CONJUGATED TO ELECTRON WITHDRAWING GROUPS KHEPRI PHARMACEUTICALS, INC. (US) 1995-08-31 WO disclosed