SCHEMBL7329042

SCHEMBL7329042

CC(C)CC(N[C@H](CCN1C(=O)c2cccc3c(Br)ccc(c23)C1=O)P(=O)(O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 13/20 0.47
MMP3 P08254 12/20 0.47
MMP9 P14780 11/20 0.47
CYP1B1 Q16678 4/20 0.46
MMP2 P08253 2/20 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
SCHEMBL6417587 0.94 MMP1 (0.47) MMP1MMP3MMP9CYP1B1MMP2
SCHEMBL9289931 0.83 MMP1 (0.54) MMP1MMP3MMP9MMP2
SCHEMBL7327878 0.83 MMP1 (0.54) MMP1MMP3MMP9MMP2
SCHEMBL7321010 0.83 MMP1 (0.54) MMP1MMP3MMP9MMP2
SCHEMBL7320992 0.83 MMP1 (0.54) MMP1MMP3MMP9MMP2
SCHEMBL7357542 0.82 MMP1 (0.55) MMP1MMP3MMP9MMP2
SCHEMBL7329563 0.81 CYP1B1 (0.45) MMP1MMP3MMP9CYP1B1
SCHEMBL7357450 0.80 ECE1 (0.51) MMP1MMP3MMP9
SCHEMBL7320781 0.79 MMP1 (0.50) MMP1MMP3MMP9MMP2
SCHEMBL7322384 0.75 MMP1 (0.54) MMP1MMP3MMP9MMP2

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
WO-1993009136-A1 PHOSPHONOPEPTIDES WITH COLLAGENASE INHIBITING ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1993-05-13 WO claimed
US-6340709-B1 ADMINISTERING BIPHENYLSULFONAMIDE DERIVATIVE WARNER-LAMBERT COMPANY 2002-01-22 US disclosed