SCHEMBL8396457

SCHEMBL8396457

CC(C)CC(CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCN

nearest known ligand 0.85

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 13/20 0.85
MMP2 P08253 6/20 0.85
MMP8 P22894 5/20 0.85
MMP9 P14780 3/20 0.73
MMP7 P09237 1/20 0.72

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
SCHEMBL6016080 0.92 MMP1 (0.86) MMP1MMP2MMP8MMP9MMP7
SCHEMBL3789890 0.92 MMP1 (0.86) MMP1MMP2MMP8MMP9MMP7
SCHEMBL13059991 0.92 MMP1 (0.86) MMP1MMP2MMP8MMP9MMP7
SCHEMBL3794318 0.87 MMP8 (0.80) MMP1MMP2MMP8MMP9MMP7
SCHEMBL6013895 0.87 MMP8 (0.80) MMP1MMP2MMP8MMP9MMP7
SCHEMBL6016085 0.87 MMP8 (0.80) MMP1MMP2MMP8MMP9MMP7
SCHEMBL7457278 0.87 MMP1 (0.78) MMP1MMP2MMP8MMP9MMP7
SCHEMBL6575485 0.86 MMP1 (0.82) MMP1MMP2MMP8MMP9MMP7
SCHEMBL7412775 0.86 MMP2 (0.84) MMP1MMP2MMP8MMP9MMP7
SCHEMBL6577793 0.84 MMP2 (1.00) MMP1MMP2MMP8MMP9MMP7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5892112-A ACYLATION OF AMINO ACIDS WITH ANHYDRIDES OR CARBOXY GROUPS, AMIDATION WITH AMINE AND CONVERSION OF ACID OR ESTER TO HYDROXAMIC ACID AND HYDROLYSIS GLYCOMED INCORPORATED (US) 1999-04-06 US disclosed