SCHEMBL7192046

SCHEMBL7192046

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 6/20 0.52
MMP2 P08253 6/20 0.52
MMP1 P03956 4/20 0.52
MMP9 P14780 3/20 0.52
MMP7 P09237 1/20 0.52
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PORCN Q9H237 2/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
FCER2 P06734 1/20 0.38
ALDH1A1 P00352 1/20 0.38
FFAR2 O15552 1/20 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
SCHEMBL7174678 0.91 MMP1 (0.47) MMP3MMP2MMP1MMP9MMP7
SCHEMBL7172740 0.90 MMP3 (0.52) MMP3MMP2MMP1MMP9MMP7
SCHEMBL7174032 0.85 ADAM17 (0.50) MMP3MMP2MMP1MMP9MMP7
SCHEMBL7170041 0.85 MMP3 (0.52) MMP3MMP2MMP1MMP9MMP7
SCHEMBL7169041 0.83 MEN1 (0.44) MMP3MMP2MMP1MMP9MMP7
SCHEMBL7177702 0.83 MMP3 (0.50) MMP3MMP2MMP1MMP9MMP7
SCHEMBL7176308 0.82 MMP1 (0.46) MMP3MMP2MMP1MMP9MMP7
SCHEMBL7177674 0.78 MMP1 (0.46) MMP3MMP2MMP1MMP9MMP7
SCHEMBL7174231 0.77 MMP8 (0.45) MMP2MMP1KMT2ANPC1RAB9A
SCHEMBL8190115 0.77 MMP1 (0.77) MMP3MMP2MMP1MMP9MMP7

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