SCHEMBL7975672

SCHEMBL7975672

C=CCCCCN(C)C(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)[C@H](CCCC=C)CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.40
MMP1 P03956 5/20 0.40
MMP3 P08254 4/20 0.40
CTSL P07711 2/20 0.36
PTPN1 P18031 1/20 0.36
ACE P12821 1/20 0.35
MMP8 P22894 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 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
SCHEMBL7977132 1.00 MMP2 (0.40) MMP2MMP1MMP3CTSLPTPN1
SCHEMBL7986414 0.86 MEN1 (0.40) CTSLPTPN1MEN1KMT2AMAPT
SCHEMBL7986417 0.86 MEN1 (0.40) CTSLPTPN1MEN1KMT2AMAPT
SCHEMBL7977828 0.82 MMP2 (0.44) MMP2MMP1MMP3ACEMMP8
SCHEMBL7977831 0.82 MMP2 (0.44) MMP2MMP1MMP3ACEMMP8
SCHEMBL7975675 0.81 MEN1 (0.36) MMP2MEN1KMT2AMAPT
SCHEMBL7986858 0.77 MMP2 (0.46) MMP2MMP1MMP3
SCHEMBL7987529 0.77 MMP3 (0.42) MMP2MMP1MMP3MMP8
SCHEMBL7989516 0.77 MMP3 (0.42) MMP2MMP1MMP3MMP8
SCHEMBL7987055 0.76 MC4R (0.51) MMP2MEN1KMT2AMAPT

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
WO-2001040198-A2 MACROCYCLIC HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS ANTIMICROBIAL AGENTS AVENTIS PHARMA S.A. (FR) 2001-06-07 WO disclosed