SCHEMBL8554005

SCHEMBL8554005

CC(=O)N1C(=O)NC(=O)C(c2ccccc2)(N2CCC(O)CC2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.48
MMP3 P08254 1/20 0.46
MMP8 P22894 1/20 0.46
MMP2 P08253 9/20 0.43
MMP9 P14780 9/20 0.43
KMT2A Q03164 1/20 0.38
BRD2 P25440 1/20 0.38
BRD3 Q15059 1/20 0.38
BRDT Q58F21 1/20 0.38

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
SCHEMBL8551269 0.84 MMP8 (0.49) BRD4MMP3MMP8MMP2MMP9
SCHEMBL27550528 0.81 MMP3 (0.46) BRD4MMP3MMP8MMP2MMP9
SCHEMBL27491360 0.79 MMP8 (0.69) BRD4MMP3MMP8MMP2MMP9
SCHEMBL8551832 0.68 MMP8 (0.65) MMP3MMP8MMP2MMP9
SCHEMBL20892490 0.68 BRD4 (0.57) BRD4MMP3MMP8BRD2BRD3
SCHEMBL8555925 0.66 MMP8 (0.62) MMP3MMP8MMP2MMP9
SCHEMBL8550568 0.66 MMP3 (0.52) BRD4MMP3MMP8MMP2MMP9
SCHEMBL8551231 0.66 MMP3 (0.52) MMP3MMP8MMP2MMP9
SCHEMBL16204698 0.66 BRD4 (1.00) BRD4BRD2BRD3BRDT
SCHEMBL8554743 0.65 MMP3 (0.51) BRD4MMP3MMP8MMP2MMP9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1318406-C New barbituric acid derivatives, processes for their prodn. and pharmaceutical agent contg. same BOEHRINGER MANNHEIM GMBH (DE) 2007-05-30 CN disclosed
EP-0869947-A1 NEW BARBITURIC ACID DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1998-10-14 EP disclosed
WO-1997023465-A1 NEW BARBITURIC ACID DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1997-07-03 WO disclosed