SCHEMBL6480784

SCHEMBL6480784

CC(C)C[C@H](NC(=O)COc1ccccc1C(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccc(OC(=O)N2CCOCC2)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.47
ITGB1 P05556 2/20 0.46
ITGA4 P13612 2/20 0.46
ITGB7 P26010 2/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.45
CTSS P25774 1/20 0.43
PSMB8 P28062 3/20 0.43
CYP3A4 P08684 2/20 0.42
CYP3A5 P20815 2/20 0.42
CYP3A7 P24462 2/20 0.42
CYP3A43 Q9HB55 2/20 0.42
CASP3 P42574 3/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
CASP6 P55212 2/20 0.42
CASP8 Q14790 2/20 0.42
TMPRSS11D O60235 1/20 0.41
CTRL P40313 1/20 0.41
PPARG P37231 3/20 0.41

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
SCHEMBL6474049 0.90 EPHX1 (0.46) CACNA1BITGB1ITGA4ITGB7KMT2A
SCHEMBL6481282 0.89 ITGB1 (0.46) CACNA1BITGB1ITGA4ITGB7PSMB8
SCHEMBL6474041 0.89 CTSS (0.45) CACNA1BITGB1ITGA4ITGB7KMT2A
SCHEMBL6473601 0.88 PSMB11 (0.44) ITGB1ITGA4ITGB7KMT2AMEN1
SCHEMBL6478996 0.88 CACNA1B (0.47) CACNA1BITGB1ITGA4ITGB7KMT2A
SCHEMBL6481964 0.87 ITGB1 (0.45) CACNA1BITGB1ITGA4ITGB7CTSS
SCHEMBL6481561 0.86 PSMB11 (0.45) ITGB1ITGA4ITGB7PSMB8CASP3
SCHEMBL6479150 0.85 CASP1 (0.52) CACNA1BITGB1ITGA4ITGB7CTSS
SCHEMBL6481551 0.84 SMN1; SMN2 (0.47) ITGB1ITGA4ITGB7KMT2AMEN1
SCHEMBL6482015 0.84 TSHR (0.49) CACNA1BITGB1ITGA4ITGB7KMT2A

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