SCHEMBL6480404

SCHEMBL6480404

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OC(=O)N2CCOCC2)cc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.58
CTSL P07711 6/20 0.58
CAPN1 P07384 2/20 0.56
ITGB3 P05106 2/20 0.53
ITGA2B P08514 2/20 0.53
CTSS P25774 2/20 0.53
CTSB P07858 1/20 0.52

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
SCHEMBL6479130 0.92 CTSK (0.55) CTSKCTSLCAPN1CTSS
SCHEMBL6481485 0.84 CTSK (0.56) CTSKCTSLCAPN1CTSS
SCHEMBL7327426 0.83 CAPN1 (0.78) CTSKCTSLCAPN1CTSSCTSB
SCHEMBL27809377 0.83 CAPN1 (0.78) CTSKCTSLCAPN1CTSSCTSB
SCHEMBL9828791 0.83 CAPN1 (0.78) CTSKCTSLCAPN1CTSSCTSB
SCHEMBL2059183 0.82 ITGB3 (0.70) ITGB3ITGA2B
SCHEMBL10350043 0.82 CTSK (0.75) CTSKCTSLCAPN1CTSSCTSB
SCHEMBL2256227 0.82 CAPN1 (0.74) CTSKCTSLCAPN1CTSSCTSB
SCHEMBL2256235 0.82 CAPN1 (0.74) CTSKCTSLCAPN1CTSSCTSB
SCHEMBL2253428 0.82 CAPN1 (0.74) CTSKCTSLCAPN1CTSSCTSB

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 8 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 claimed
EP-1140837-B1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LTD (GB) 2004-08-18 EP claimed
EP-1140837-A1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2001-10-10 EP claimed
WO-2000037444-A1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2000-06-29 WO claimed
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