SCHEMBL8652197

SCHEMBL8652197

CC(C)(C)[C@H](NC(=O)CC[CH]c1ccc(-c2ccccc2)cc1)C(=O)Nc1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.49
MMP3 P08254 3/20 0.49
MMP9 P14780 3/20 0.49
MMP2 P08253 1/20 0.46
MMP7 P09237 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
POLB P06746 2/20 0.42
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 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
SCHEMBL8664026 0.90 MMP1 (0.51) MMP1MMP3MMP9MMP2MMP7
SCHEMBL8649902 0.79 MMP2 (0.50) MMP3MMP2KMT2APOLBHDAC4
SCHEMBL7030293 0.71 MMP1 (0.51) MMP1MMP3MMP9MMP2MMP7
SCHEMBL7192046 0.71 MMP3 (0.52) MMP1MMP3MMP9MMP2MMP7
SCHEMBL7425834 0.71 MMP2 (0.47) MMP1MMP3MMP9MMP2MMP7
SCHEMBL7420144 0.71 MMP3 (0.48) MMP1MMP3MMP9MMP2MMP7
SCHEMBL4394957 0.70 ITGAV (0.66)
SCHEMBL4400021 0.70 ITGAV (0.66)
SCHEMBL4394706 0.69 ITGB3 (0.70)
SCHEMBL4392614 0.69 ITGB3 (0.70)

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
EP-0865339-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-09-23 EP claimed
WO-1997003783-A9 METALLOPROTEINASE INHIBITORS 1997-04-03 WO claimed
WO-1997003783-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-02-06 WO claimed