SCHEMBL6479549

SCHEMBL6479549

CC(C)C[C@H](NC(=O)c1cccc2c1oc1ccccc12)C(=O)N[C@@H](Cc1ccc(OC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 5/20 0.49
ITGA4 P13612 5/20 0.49
ITGB7 P26010 5/20 0.49
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 4/20 0.44
LMNA P02545 4/20 0.40
MAPT P10636 4/20 0.40
MAPK1 P28482 3/20 0.40
HTT P42858 2/20 0.40
USP2 O75604 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
PSMB8 P28062 2/20 0.38
PSMB9 P28065 2/20 0.38
PSMB5 P28074 2/20 0.38
PSMB10 P40306 2/20 0.38
PSMB2 P49721 2/20 0.38
PSMB11 A5LHX3 1/20 0.38
PSMA7 O14818 1/20 0.38
PSMB1 P20618 1/20 0.38
PSMA1 P25786 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
SCHEMBL6474249 0.92 ITGB1 (0.52) ITGB1ITGA4ITGB7L3MBTL1PSMB8
SCHEMBL6479056 0.91 ITGB1 (0.54) ITGB1ITGA4ITGB7L3MBTL1PSMB8
SCHEMBL6474096 0.89 ITGB1 (0.51) ITGB1ITGA4ITGB7KMT2AL3MBTL1
SCHEMBL6480757 0.86 ITGB1 (0.51) ITGB1ITGA4ITGB7MAPK1L3MBTL1
SCHEMBL6473111 0.86 ITGB1 (0.47) ITGB1ITGA4ITGB7KMT2AMAPK1
SCHEMBL6474075 0.85 ITGB1 (0.49) ITGB1ITGA4ITGB7MAPK1L3MBTL1
SCHEMBL6473058 0.83 ITGB1 (0.48) ITGB1ITGA4ITGB7PSMB8PSMB9
SCHEMBL6474262 0.81 KMT2A (0.51) ITGB1ITGA4ITGB7KMT2AALDH1A1
SCHEMBL6479196 0.79 ACE (0.51) ICMTECE1
SCHEMBL6661824 0.79 ALDH1A1 (0.39) KMT2AALDH1A1LMNAMAPTMAPK1

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