Sugi Predict

Sugi Predict / Compounds / Leucine

Leucine

Leucine

SCHEMBL8524451

CC(C)CC(N)C(=O)O.O=C(O)[C@H](CCc1ccccc1)N[C@H](CCCCN1C(=O)c2ccccc2C1=O)C(=O)OCc1ccccc1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 13/20 0.47
▸ MMP9 P14780 13/20 0.47
▸ MMP3 P08254 13/20 0.45
▸ MMP2 P08253 3/20 0.44
▸ ELANE P08246 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CTSL P07711 1/20 0.40

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
Leucine SCHEMBL6412363 0.93 MMP1 (0.53) MMP1MMP9MMP3MMP2ELANE
SCHEMBL7329031 0.90 TDP1 (0.49) MMP1MMP9MMP3TDP1L3MBTL1
SCHEMBL6843799 0.82 TDP1 (0.58) MMP1MMP9TDP1L3MBTL1
Leucine SCHEMBL8488907 0.80 ELANE (0.44) MMP1MMP9MMP3MMP2ELANE
Leucine SCHEMBL7325651 0.79 MMP3 (0.55) MMP1MMP9MMP3MMP2
Leucine SCHEMBL6415429 0.79 MMP3 (0.55) MMP1MMP9MMP3MMP2
Leucine SCHEMBL7327425 0.76 SLC1A3 (0.43) MMP3MMP2CTSL
Leucine SCHEMBL6421654 0.75 MMP3 (0.62) MMP1MMP9MMP3MMP2
Leucine SCHEMBL7371235 0.75 MMP3 (0.62) MMP1MMP9MMP3MMP2
SCHEMBL12087999 0.75 CYP3A4 (0.53) TDP1L3MBTL1CTSL

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