SCHEMBL6478370

SCHEMBL6478370

CC(C)C[C@H](NC(=O)COc1ccccc1I)C(=O)N[C@@H](Cc1ccc(OC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 4/20 0.44
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
ITGB7 P26010 1/20 0.42
CASP1 P29466 4/20 0.40
CASP3 P42574 4/20 0.40
CASP7 P55210 4/20 0.40
CASP6 P55212 4/20 0.40
CASP8 Q14790 4/20 0.40
GPR34 Q9UPC5 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 2/20 0.39
PSMB11 A5LHX3 1/20 0.39
PSMA7 O14818 1/20 0.39
PSMB1 P20618 1/20 0.39
PSMA1 P25786 1/20 0.39
PSMA2 P25787 1/20 0.39
PSMA3 P25788 1/20 0.39
PSMA4 P25789 1/20 0.39

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
SCHEMBL6479143 0.91 ITGB1 (0.45) ITGB1ITGA4ITGB7CASP1CASP3
SCHEMBL6474104 0.90 KMT2A (0.45) KMT2AALDH1A1ITGB1ITGA4ITGB7
SCHEMBL6479940 0.90 ITGB1 (0.47) ALDH1A1ITGB1ITGA4ITGB7CASP1
SCHEMBL7538622 0.90 ITGB1 (0.47) ALDH1A1ITGB1ITGA4ITGB7CASP1
SCHEMBL6474041 0.89 CTSS (0.45) KMT2AITGB1ITGA4ITGB7CASP1
SCHEMBL6532390 0.88 CASP1 (0.49) KMT2AALDH1A1ITGB1ITGA4ITGB7
SCHEMBL6472884 0.87 KMT2A (0.43) KMT2AALDH1A1ITGB1ITGA4ITGB7
SCHEMBL6474262 0.86 KMT2A (0.51) KMT2AALDH1A1ITGB1ITGA4ITGB7
SCHEMBL6473896 0.85 PSMB11 (0.44) KMT2AITGB1ITGA4ITGB7CASP1
SCHEMBL6480786 0.85 MAPK1 (0.44) ITGB1ITGA4ITGB7CASP1CASP3

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