SCHEMBL7993715

SCHEMBL7993715

C=CCCC[C@H](CC(=O)O)C(=O)N[C@H](C(=O)N(CCCC=C)Cc1cccnc1)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 14/20 0.41
MMP3 P08254 6/20 0.41
MMP12 P39900 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
MMP14 P50281 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.39

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
SCHEMBL7986075 0.86 ALDH1A1 (0.46) ALDH1A1RECQLKMT2A
SCHEMBL7986078 0.86 ALDH1A1 (0.46) ALDH1A1RECQLKMT2A
SCHEMBL7993721 0.83 ALDH1A1 (0.40) MMP2MMP3MMP12ALDH1A1RECQL
SCHEMBL7989742 0.77 RECQL (0.45) ALDH1A1RECQLKMT2A
SCHEMBL7989744 0.77 RECQL (0.45) ALDH1A1RECQLKMT2A
SCHEMBL7989849 0.77 PDF (0.37) MMP2MMP3MMP1MMP9MMP14
SCHEMBL7976169 0.76 PDF (0.44) MMP2MMP3MMP1MMP9MMP14
SCHEMBL7977102 0.76 PDF (0.44) MMP2MMP3MMP1MMP9MMP14
SCHEMBL7992880 0.75 PDF (0.40) MMP2MMP3MMP1MMP9MMP14
SCHEMBL7995047 0.73 PDF (0.43) MMP2MMP3MMP1MMP9MMP14

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