SCHEMBL6479130

SCHEMBL6479130

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

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.55
CTSL P07711 4/20 0.55
CAPN1 P07384 2/20 0.51
P2RX7 Q99572 8/20 0.51
CTSS P25774 1/20 0.51
CACNA1B Q00975 1/20 0.49

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
SCHEMBL6481485 0.92 CTSK (0.56) CTSKCTSLCAPN1P2RX7CTSS
SCHEMBL6480404 0.92 CTSK (0.58) CTSKCTSLCAPN1CTSS
SCHEMBL6479823 0.90 CTSK (0.54) CTSKCTSLCAPN1P2RX7CTSS
SCHEMBL6474199 0.88 MAPK1 (0.56) CTSKCTSLCAPN1P2RX7CTSS
SCHEMBL6474204 0.88 MAPK1 (0.56) CTSKCTSLCAPN1P2RX7CTSS
SCHEMBL7339983 0.86 CTSS (0.59) CTSKCTSLCTSSCACNA1B
SCHEMBL6473065 0.86 MAPK1 (0.52) CTSKCTSLCAPN1P2RX7CTSS
SCHEMBL6473757 0.85 CACNA1B (0.46) CTSSCACNA1B
SCHEMBL10349214 0.84 CTSK (0.69) CTSKCTSLCAPN1CTSS
SCHEMBL6481358 0.83 CACNA1B (0.49) CACNA1B

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