SCHEMBL7329953

SCHEMBL7329953

COP(=O)(OC)[C@@H](CCN1C(=O)c2cccc3cccc(c23)C1=O)NC(CC(C)C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 16/20 0.50
MMP9 P14780 16/20 0.50
MMP3 P08254 13/20 0.48
POLB P06746 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7323291 0.91 MMP9 (0.52) MMP1MMP9MMP3POLBMEN1
SCHEMBL7323303 0.91 MMP9 (0.52) MMP1MMP9MMP3POLBMEN1
SCHEMBL7323279 0.91 MMP9 (0.52) MMP1MMP9MMP3POLBMEN1
SCHEMBL9349379 0.91 CYP1B1 (0.46) MMP1MMP9MMP3
SCHEMBL7329563 0.88 CYP1B1 (0.45) MMP1MMP9MMP3POLBRXFP1
SCHEMBL7322384 0.84 MMP1 (0.54) MMP1MMP9MMP3
SCHEMBL7356722 0.83 ECE1 (0.49)
SCHEMBL7319486 0.82 MMP1 (0.40) MMP1MMP9MMP3POLBRXFP1
SCHEMBL7357542 0.79 MMP1 (0.55) MMP1MMP9MMP3KDM4E
SCHEMBL7324972 0.78 MMP1 (0.45) MMP1MMP9MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0612324-A1 PHOSPHONOPEPTIDES WITH COLLAGENASE INHIBITING ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1994-08-31 EP disclosed
WO-1993009136-A1 PHOSPHONOPEPTIDES WITH COLLAGENASE INHIBITING ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1993-05-13 WO disclosed