Leucine

Leucine

SCHEMBL8488907

CC(C)CC(N)C(=O)O.N[C@@H](CCc1ccccc1)C(=O)O[C@H](CCCCN1C(=O)c2ccccc2C1=O)C(=O)O

nearest known ligand 0.44

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MMP2 P08253 4/20 0.43
MMP3 P08254 4/20 0.43
HDAC1 Q13547 3/20 0.39
HDAC7 Q8WUI4 3/20 0.39
GRIK1 P39086 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP3 P42574 1/20 0.39
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
RAB9A P51151 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL8491963 0.84 L3MBTL1 (0.48) TDP1L3MBTL1HDAC1HDAC7TSHR
Leucine SCHEMBL6412363 0.82 MMP1 (0.53) ELANETDP1L3MBTL1MMP2MMP3
Leucine SCHEMBL8524451 0.80 MMP1 (0.47) ELANETDP1L3MBTL1MMP2MMP3
Hydrochloric Acid SCHEMBL7156167 0.72 HDAC1 (0.56) ELANETDP1L3MBTL1HDAC1HDAC7
SCHEMBL29166106 0.72 HDAC7 (0.53) TDP1HDAC1HDAC7
SCHEMBL9856551 0.71 PPARG (0.48) MMP2GRIK1
SCHEMBL9191639 0.70 HDAC1 (0.52) TDP1L3MBTL1MMP2HDAC1HDAC7
SCHEMBL6843799 0.69 TDP1 (0.58) TDP1L3MBTL1HDAC1HDAC7TSHR
Hydrochloric Acid SCHEMBL9394212 0.69 HDAC1 (0.51) ELANETDP1L3MBTL1MMP2HDAC1
SCHEMBL11481918 0.69 HDAC1 (0.58) TDP1L3MBTL1HDAC1HDAC7MAOB

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
US-5932551-A INHIBITORS OF MATRIX METALLOENDOPROTEINASE-MEDIATED DISEASES MERCK & CO., INC. (US) 1999-08-03 US disclosed