SCHEMBL7993697

SCHEMBL7993697

C=CCCC[C@H](CC(=O)O)C(=O)NC[C@H](C(=O)N(C)CCCC=C)c1c[nH]c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.40
MEN1 O00255 6/20 0.40
MAPT P10636 6/20 0.40
ALDH1A1 P00352 5/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
MAPK1 P28482 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
PKM P14618 1/20 0.38
MCL1 Q07820 3/20 0.38
GAA P10253 3/20 0.38
LMNA P02545 1/20 0.38
MMP2 P08253 4/20 0.37
MMP8 P22894 3/20 0.37
MMP1 P03956 2/20 0.37
MMP9 P14780 2/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36

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
SCHEMBL7976203 0.88 KMT2A (0.43) KMT2AMEN1MAPTALDH1A1L3MBTL1
SCHEMBL7989894 0.88 KMT2A (0.43) KMT2AMEN1MAPTALDH1A1L3MBTL1
SCHEMBL7986630 0.84 TAAR1 (0.33) KMT2AMEN1MAPTALDH1A1MAPK1
SCHEMBL7993694 0.81 MMP2 (0.54) MMP2MMP8MMP1MMP9
SCHEMBL7986860 0.78 MMP2 (0.38) MMP2
SCHEMBL7987530 0.75 MMP3 (0.37) MMP2MMP8MMP1MMP9
SCHEMBL7985989 0.74 FFAR1 (0.39) ALDH1A1FFAR1
SCHEMBL7986858 0.71 MMP2 (0.46) MMP2MMP1
SCHEMBL7986859 0.71 MMP9 (0.45) MMP2MMP8MMP1MMP9CTSK
SCHEMBL7976171 0.71 PDF (0.33)

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