SCHEMBL7176308

SCHEMBL7176308

COC(C)(C)C(NC(=O)C(Nc1ccc(Oc2ccccc2)cc1)C(O)C(=O)NO)C(=O)Nc1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.46
MMP3 P08254 3/20 0.46
MMP9 P14780 3/20 0.46
MMP2 P08253 1/20 0.46
MMP7 P09237 1/20 0.46
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.38
F2 P00734 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL7172740 0.92 MMP3 (0.52) MMP1MMP3MMP9MMP2MMP7
SCHEMBL7174678 0.91 MMP1 (0.47) MMP1MMP3MMP9MMP2MMP7
SCHEMBL7177674 0.89 MMP1 (0.46) MMP1MMP3MMP9MMP2MMP7
SCHEMBL7172633 0.87 FCER2 (0.41) MMP1MMP3MMP9MMP2MMP7
SCHEMBL7173112 0.87 MMP1 (0.44) MMP1MMP3MMP9MMP2MMP7
SCHEMBL7192046 0.82 MMP3 (0.52) MMP1MMP3MMP9MMP2MMP7
SCHEMBL7173324 0.81 SCN9A (0.43) MMP1MMP3MMP9MMP2MMP7
SCHEMBL7170041 0.81 MMP3 (0.52) MMP1MMP3MMP9MMP2MMP7
SCHEMBL7177702 0.79 MMP3 (0.50) MMP1MMP3MMP9MMP2MMP7
SCHEMBL7170096 0.78 FCER2 (0.50) 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