SCHEMBL7319486

SCHEMBL7319486

COP(=O)(OC)[C@@H](CCN1C(=O)c2cccc3cccc(c23)C1=O)NC(CC(C)C)C(=O)NN1CCCCCCCCCCCC1=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 14/20 0.40
MMP9 P14780 14/20 0.40
POLB P06746 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MMP3 P08254 12/20 0.39
RAD52 P43351 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
LMNA P02545 1/20 0.36
REN P00797 1/20 0.36

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
SCHEMBL6420109 0.92 MMP1 (0.41) MMP1MMP9POLBRXFP1MMP3
SCHEMBL7329953 0.82 MMP1 (0.50) MMP1MMP9POLBRXFP1MMP3
SCHEMBL7322384 0.76 MMP1 (0.54) MMP1MMP9MMP3REN
SCHEMBL9349379 0.74 CYP1B1 (0.46) MMP1MMP9MMP3
SCHEMBL7323279 0.74 MMP9 (0.52) MMP1MMP9POLBMMP3
SCHEMBL7323303 0.74 MMP9 (0.52) MMP1MMP9POLBMMP3
SCHEMBL7323291 0.74 MMP9 (0.52) MMP1MMP9POLBMMP3
SCHEMBL7356722 0.72 ECE1 (0.49)
SCHEMBL7329563 0.72 CYP1B1 (0.45) MMP1MMP9POLBRXFP1MMP3
SCHEMBL7324972 0.71 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