SCHEMBL6479206

SCHEMBL6479206

CC(C)C[C@H](NC(=O)c1cccc2c1oc1ccccc12)C(=O)N[C@@H](Cc1ccc(OC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
CCR3 P51677 6/20 0.40
BACE1 P56817 2/20 0.40
ICMT O60725 1/20 0.40
ECE1 P42892 1/20 0.40
PPARG P37231 1/20 0.40
CTSL P07711 3/20 0.39
CA2 P00918 1/20 0.39
CTSB P07858 1/20 0.38
PSMB1 P20618 1/20 0.38
PSMB5 P28074 1/20 0.38
PSMB2 P49721 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6479211 1.00 ITGB1 (0.41) ITGB1ITGA4ITGB7CCR3BACE1
SCHEMBL6479196 0.83 ACE (0.51) ICMTECE1
SCHEMBL6479056 0.82 ITGB1 (0.54) ITGB1ITGA4ITGB7ICMTECE1
SCHEMBL6474096 0.82 ITGB1 (0.51) ITGB1ITGA4ITGB7ICMTECE1
SCHEMBL6474249 0.81 ITGB1 (0.52) ITGB1ITGA4ITGB7ICMTECE1
SCHEMBL6480757 0.80 ITGB1 (0.51) ITGB1ITGA4ITGB7ICMTECE1
SCHEMBL6479549 0.78 ITGB1 (0.49) ITGB1ITGA4ITGB7ICMTECE1
SCHEMBL6473095 0.78 CTSL (0.62) CTSLCTSB
SCHEMBL6473111 0.78 ITGB1 (0.47) ITGB1ITGA4ITGB7PSMB1PSMB5
SCHEMBL6474075 0.78 ITGB1 (0.49) ITGB1ITGA4ITGB7PSMB1PSMB5

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