SCHEMBL6473095

SCHEMBL6473095

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 14/20 0.62
CTSB P07858 7/20 0.60
CAPN1 P07384 2/20 0.58
CTSK P43235 2/20 0.55
CTSS P25774 1/20 0.55

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
SCHEMBL6474414 0.86 PTPN1 (0.49) CTSLCTSB
SCHEMBL3881009 0.86 CTSL (0.62) CTSLCTSBCTSKCTSS
SCHEMBL10366989 0.86 CTSL (0.62) CTSLCTSBCTSKCTSS
SCHEMBL30404224 0.86 CTSL (0.62) CTSLCTSBCTSKCTSS
SCHEMBL6473599 0.86 PPARG (0.52) CTSLCTSBCTSK
SCHEMBL11746062 0.85 HTR2A (0.60) CTSLCTSB
4-Nitrophenyl Acetate SCHEMBL7325115 0.85 CTSL (0.61) CTSLCTSBCTSKCTSS
SCHEMBL11138908 0.84 CTSL (0.65) CTSLCTSB
SCHEMBL951558 0.84 CTSL (0.65) CTSLCTSB
SCHEMBL8713258 0.84 CTSL (0.65) CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6867192-B1 Compounds useful in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2005-03-15 US disclosed
EP-1140837-B1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LTD (GB) 2004-08-18 EP disclosed
EP-1140837-A1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2001-10-10 EP disclosed
WO-2000037444-A1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2000-06-29 WO disclosed