SCHEMBL6474245

SCHEMBL6474245

CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](Cc1ccc(OC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
PTPN1 P18031 8/20 0.45
ALDH1A1 P00352 1/20 0.43
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
ITGB7 P26010 1/20 0.42

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
SCHEMBL6474262 0.84 KMT2A (0.51) KMT2AALDH1A1ITGB1ITGA4ITGB7
SCHEMBL29398078 0.82 PTPN1 (0.58) PTPN1
SCHEMBL2735616 0.82 PTPN1 (0.58) PTPN1
SCHEMBL6480346 0.82 PSMB11 (0.46) PTPN1ITGB1ITGA4ITGB7
SCHEMBL7377139 0.81 ITGB1 (0.49) KMT2AITGB1ITGA4ITGB7
SCHEMBL31524127 0.81 ITGB1 (0.49) KMT2AITGB1ITGA4ITGB7
SCHEMBL6532390 0.80 CASP1 (0.49) KMT2AALDH1A1ITGB1ITGA4ITGB7
SCHEMBL30490552 0.79 PTPN1 (0.59) PTPN1
SCHEMBL29561412 0.79 PTPN1 (0.59) PTPN1
SCHEMBL30490542 0.79 PTPN1 (0.59) PTPN1

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