SCHEMBL6479196

SCHEMBL6479196

CC(C)C[C@H](NC(=O)c1cccc2c1oc1ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE P12821 8/20 0.51
FOLH1 Q04609 1/20 0.51
ECE1 P42892 1/20 0.47
ICMT O60725 1/20 0.47
IL1RN P18510 1/20 0.46
ERAP2 Q6P179 1/20 0.46
MME P08473 4/20 0.45
CPA1 P15085 2/20 0.45
ACE2 Q9BYF1 2/20 0.45
NPY1R P25929 1/20 0.45
NPY2R P49146 1/20 0.45
NPY4R P50391 1/20 0.45
KDR P35968 1/20 0.43

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
SCHEMBL6479206 0.83 ITGB1 (0.41) ECE1ICMT
SCHEMBL6479211 0.83 ITGB1 (0.41) ECE1ICMT
SCHEMBL6479056 0.83 ITGB1 (0.54) ACEECE1ICMTMMECPA1
SCHEMBL6474096 0.83 ITGB1 (0.51) ECE1ICMT
SCHEMBL6474249 0.82 ITGB1 (0.52) ECE1ICMT
SCHEMBL6480757 0.81 ITGB1 (0.51) ECE1ICMT
SCHEMBL6479549 0.79 ITGB1 (0.49) ECE1ICMT
SCHEMBL6473111 0.79 ITGB1 (0.47)
SCHEMBL6474075 0.79 ITGB1 (0.49)
SCHEMBL9832280 0.77 ACE (0.64) ACEFOLH1MME

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