SCHEMBL7987308

SCHEMBL7987308

C=CCCC[C@H](CC(=O)O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N(C)CCCC=C

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.48
MMP1 P03956 9/20 0.48
MMP3 P08254 9/20 0.48
PSEN1 P49768 10/20 0.45
PSEN2 P49810 10/20 0.45
APH1B Q8WW43 10/20 0.45
NCSTN Q92542 10/20 0.45
APH1A Q96BI3 10/20 0.45
PSENEN Q9NZ42 10/20 0.45

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
SCHEMBL7994397 1.00 MMP2 (0.48) MMP2MMP1MMP3PSEN1PSEN2
SCHEMBL7986623 0.84 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7987314 0.81 MME (0.41) MMP2MMP1MMP3PSEN1PSEN2
SCHEMBL7990047 0.81 PDF (0.50) MMP2MMP1MMP3
SCHEMBL7989538 0.81 PDF (0.43) MMP2MMP1MMP3
SCHEMBL7987311 0.79 ALDH1A1 (0.34) MMP2MMP1MMP3
SCHEMBL7976169 0.77 PDF (0.44) MMP2MMP1MMP3
SCHEMBL7990024 0.77 PDF (0.58) MMP2MMP1MMP3
SCHEMBL7977102 0.77 PDF (0.44) MMP2MMP1MMP3
SCHEMBL7986858 0.77 MMP2 (0.46) MMP2MMP1MMP3

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