SCHEMBL6532390

SCHEMBL6532390

CC(C)C[C@H](NC(=O)COc1ccccc1C1CCCCC1)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
CASP1 P29466 6/20 0.49
CASP3 P42574 6/20 0.49
CASP7 P55210 6/20 0.49
CASP6 P55212 6/20 0.49
CASP8 Q14790 6/20 0.49
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.41
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
YAP1 P46937 2/20 0.39
PSMB8 P28062 2/20 0.39
PSMB9 P28065 2/20 0.39
PSMB5 P28074 2/20 0.39
PSMB10 P40306 2/20 0.39
PSMB2 P49721 2/20 0.39
REN P00797 2/20 0.38
GPR34 Q9UPC5 1/20 0.38
PSMB11 A5LHX3 1/20 0.37
PSMA7 O14818 1/20 0.37

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
SCHEMBL7538573 0.90 CASP1 (0.51) CASP1CASP3CASP7CASP6CASP8
SCHEMBL6479150 0.89 CASP1 (0.52) CASP1CASP3CASP7CASP6CASP8
SCHEMBL6478370 0.88 KMT2A (0.47) CASP1CASP3CASP7CASP6CASP8
SCHEMBL6472835 0.88 CASP1 (0.51) CASP1CASP3CASP7CASP6CASP8
SCHEMBL6474104 0.87 KMT2A (0.45) CASP1CASP3CASP7CASP6CASP8
SCHEMBL6474177 0.85 CASP1 (0.49) CASP1CASP3CASP7CASP6CASP8
SCHEMBL6478978 0.84 CASP1 (0.48) CASP1CASP3CASP7CASP6CASP8
SCHEMBL6472884 0.83 KMT2A (0.43) CASP1CASP3CASP7CASP6CASP8
SCHEMBL6474262 0.83 KMT2A (0.51) KMT2AALDH1A1ITGB1ITGA4ITGB7
SCHEMBL6661977 0.81 CASP1 (0.47) CASP1CASP3CASP7CASP6CASP8

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 6 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
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