SCHEMBL27550528

SCHEMBL27550528

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.46
MMP8 P22894 1/20 0.46
BRD4 O60885 5/20 0.46
MMP2 P08253 8/20 0.40
MMP9 P14780 8/20 0.40
HSD11B1 P28845 1/20 0.37
ADRA1B P35368 1/20 0.36
BACE1 P56817 1/20 0.36
BRD2 P25440 1/20 0.36
BRD3 Q15059 1/20 0.36
BRDT Q58F21 1/20 0.36
MAPT P10636 1/20 0.35

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) MMP3MMP8BRD4MMP2MMP9
SCHEMBL8554005 0.81 BRD4 (0.48) MMP3MMP8BRD4MMP2MMP9
SCHEMBL27491360 0.79 MMP8 (0.69) MMP3MMP8BRD4MMP2MMP9
SCHEMBL8551832 0.68 MMP8 (0.65) MMP3MMP8MMP2MMP9
SCHEMBL8555925 0.66 MMP8 (0.62) MMP3MMP8MMP2MMP9
SCHEMBL8551231 0.66 MMP3 (0.52) MMP3MMP8MMP2MMP9HSD11B1
SCHEMBL8550568 0.66 MMP3 (0.52) MMP3MMP8BRD4MMP2MMP9
SCHEMBL20892490 0.66 BRD4 (0.57) MMP3MMP8BRD4BRD2BRD3
SCHEMBL17791220 0.65 LMNA (0.66) MMP3MMP2MMP9MAPT
SCHEMBL8554743 0.65 MMP3 (0.51) MMP3MMP8BRD4MMP2MMP9

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 1 patent. 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