SCHEMBL7986625

SCHEMBL7986625

C=CCCC[C@H](CC(=O)O)C(=O)N[C@@H](Cc1cc2ccccc2s1)C(=O)N(C)CCCC=C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.38
FCER2 P06734 1/20 0.38
MMP2 P08253 9/20 0.37
MMP3 P08254 4/20 0.37
TACR1 P25103 1/20 0.37
PTGER1 P34995 2/20 0.35
PTGER4 P35408 2/20 0.35
PTGER3 P43115 1/20 0.35
PSMB5 P28074 2/20 0.35
TACR2 P21452 2/20 0.33

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
SCHEMBL7988005 0.87 TACR1 (0.40) MMP1FCER2TACR1PTGER1PTGER4
SCHEMBL7986859 0.82 MMP9 (0.45) MMP1MMP2MMP3
SCHEMBL7986858 0.80 MMP2 (0.46) MMP1MMP2MMP3
SCHEMBL7990393 0.77 PTGER4 (0.39) PTGER1PTGER4PTGER3
SCHEMBL7986628 0.77 MMP2 (0.42) MMP1MMP2MMP3
SCHEMBL7993694 0.77 MMP2 (0.54) MMP1MMP2TACR1
SCHEMBL7987314 0.75 MME (0.41) MMP1MMP2MMP3
SCHEMBL7990047 0.75 PDF (0.50) MMP1MMP2MMP3
SCHEMBL7977831 0.74 MMP2 (0.44) MMP1MMP2MMP3
SCHEMBL7977828 0.74 MMP2 (0.44) MMP1MMP2MMP3

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