SCHEMBL7986860

SCHEMBL7986860

C=CCCC[C@H](CC(=O)O)C(=O)NCC[C@H](C(=O)N(C)CCCC=C)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 14/20 0.38
MMP3 P08254 9/20 0.38
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36
ITGB5 P18084 1/20 0.36
KDM4A O75164 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
SCHEMBL7993925 0.85 CYP2C19 (0.39) KDM4A
SCHEMBL7993697 0.78 KMT2A (0.40) MMP2
SCHEMBL7985989 0.78 FFAR1 (0.39)
SCHEMBL7989540 0.78 PDF (0.34) MMP2MMP3ITGB3
SCHEMBL7986630 0.78 TAAR1 (0.33) ITGB3
SCHEMBL7987318 0.77 PDF (0.33) ITGB3
SCHEMBL7986858 0.77 MMP2 (0.46) MMP2MMP3
SCHEMBL7976197 0.76 CYP26A1 (0.37) MMP2MMP3
SCHEMBL7976195 0.76 CYP26A1 (0.37) MMP2MMP3
SCHEMBL7986950 0.75 EPHX2 (0.39) KDM4A

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