SCHEMBL7174678

SCHEMBL7174678

COC(C)(C)C(NC(=O)C(Nc1ccc(-c2ccccc2)cc1)C(O)C(=O)NO)C(=O)Nc1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.47
MMP3 P08254 3/20 0.47
MMP9 P14780 3/20 0.47
MMP2 P08253 1/20 0.47
MMP7 P09237 1/20 0.47
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 7/20 0.39
NPC1 O15118 6/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
PORCN Q9H237 2/20 0.36
PKM P14618 2/20 0.36
LMNA P02545 1/20 0.36
ADORA3 P0DMS8 1/20 0.34
PIM1 P11309 1/20 0.34
ADORA2A P29274 1/20 0.34

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
SCHEMBL7176308 0.91 MMP1 (0.46) MMP1MMP3MMP9MMP2MMP7
SCHEMBL7192046 0.91 MMP3 (0.52) MMP1MMP3MMP9MMP2MMP7
SCHEMBL7177674 0.87 MMP1 (0.46) MMP1MMP3MMP9MMP2MMP7
SCHEMBL7175105 0.86 FCER2 (0.40) MMP1MMP3MMP9MMP2MMP7
SCHEMBL7173112 0.85 MMP1 (0.44) MMP1MMP3MMP9MMP2MMP7
SCHEMBL7172740 0.83 MMP3 (0.52) MMP1MMP3MMP9MMP2MMP7
SCHEMBL7169041 0.80 MEN1 (0.44) MMP1MMP3MMP9MMP2MMP7
SCHEMBL7170041 0.79 MMP3 (0.52) MMP1MMP3MMP9MMP2MMP7
SCHEMBL8887968 0.79 MMP9 (0.69) MMP1MMP3MMP9MMP2MMP7
SCHEMBL7172633 0.77 FCER2 (0.41) MMP1MMP3MMP9MMP2MMP7

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
US-6576628-B1 Matrix metalloprotease inhibitors; arthritis, corneal ulcers, arteriosclerosis ROCHE DIAGNOSTICS GMBH (DE) 2003-06-10 US disclosed
EP-1005449-B1 3-ARYL-SUCCINAMIDO-HYDROXAMIC ACIDS, METHODS FOR PRODUCING SAID ACIDS AND MEDICAMENTS CONTAINING THE SAME ROCHE DIAGNOSTICS GMBH (DE) 2002-10-30 EP disclosed
EP-0897908-A1 3-Aryl-succinamido-hydroxamic acids, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1999-02-24 EP disclosed