SCHEMBL6482015

SCHEMBL6482015

CC(C)C[C@H](NC(=O)COc1ccc2ccccc2c1Br)C(=O)N[C@@H](Cc1ccc(OC(=O)N2CCOCC2)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MMP9 P14780 4/20 0.43
MMP2 P08253 3/20 0.43
MMP8 P22894 3/20 0.43
ITGB1 P05556 2/20 0.42
ITGA4 P13612 2/20 0.42
ITGB7 P26010 2/20 0.42
CACNA1B Q00975 1/20 0.42
CTSS P25774 1/20 0.42
CASP1 P29466 1/20 0.42
CASP3 P42574 1/20 0.42
CASP7 P55210 1/20 0.42
CASP6 P55212 1/20 0.42
CASP8 Q14790 1/20 0.42
PRNP P04156 2/20 0.41
RXFP1 Q9HBX9 2/20 0.41
PSMB8 P28062 3/20 0.41
PTPN1 P18031 1/20 0.41
KMT2A Q03164 1/20 0.40

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
SCHEMBL6472884 0.89 KMT2A (0.43) MMP9MMP2ITGB1ITGA4ITGB7
SCHEMBL6481251 0.88 RAB9A (0.42) ITGB1ITGA4ITGB7CASP1CASP3
SCHEMBL6474049 0.86 EPHX1 (0.46) ITGB1ITGA4ITGB7CACNA1BCTSS
SCHEMBL6474041 0.86 CTSS (0.45) MMP9MMP2MMP8ITGB1ITGA4
SCHEMBL6478996 0.84 CACNA1B (0.47) ITGB1ITGA4ITGB7CACNA1BCTSS
SCHEMBL6481551 0.84 SMN1; SMN2 (0.47) ITGB1ITGA4ITGB7CTSSKMT2A
SCHEMBL6480784 0.84 CACNA1B (0.47) ITGB1ITGA4ITGB7CACNA1BCTSS
SCHEMBL6481964 0.84 ITGB1 (0.45) ITGB1ITGA4ITGB7CACNA1BCTSS
SCHEMBL6479150 0.82 CASP1 (0.52) ITGB1ITGA4ITGB7CACNA1BCTSS
SCHEMBL6473631 0.79 ITGB1 (0.48) L3MBTL1ITGB1ITGA4ITGB7CACNA1B

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