Leucine

Leucine

SCHEMBL27779804

CC(C)CC(N)C(=O)O.CC(C)CC(N)C(=O)O.Cc1cc(=O)oc2cc(N)ccc12

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.64
KDM4E B2RXH2 8/20 0.64
HPGD P15428 6/20 0.64
GLA P06280 5/20 0.64
GAA P10253 5/20 0.64
HSD17B10 Q99714 4/20 0.64
CA12 O43570 4/20 0.64
CA9 Q16790 4/20 0.64
CA1 P00915 3/20 0.64
CASP1 P29466 2/20 0.64
CASP7 P55210 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
AR P10275 2/20 0.48
ALDH2 P05091 1/20 0.48
IGLV6-57 P01721 3/20 0.47
LMNA P02545 2/20 0.47
CYP1A2 P05177 1/20 0.47

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 SCHEMBL1776947 1.00 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDGLAGAA
Leucine SCHEMBL19695473 1.00 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDGLAGAA
Leucine SCHEMBL22611961 0.99 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDGLAGAA
Leucine SCHEMBL4185791 0.99 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDGLAGAA
Aspartic Acid SCHEMBL7700638 0.89 ALDH1A1 (0.66) ALDH1A1KDM4EHPGDGLAGAA
Aspartic Acid SCHEMBL7700642 0.89 ALDH1A1 (0.66) ALDH1A1KDM4EHPGDGLAGAA
Asparagine SCHEMBL4176738 0.88 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDGLAGAA
Asparagine SCHEMBL27896279 0.88 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDGLAGAA
Serine SCHEMBL6428011 0.88 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDGLAGAA
Serine SCHEMBL27896307 0.88 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDGLAGAA

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
CN-101535496-A Genetically engineered biological indicator AMERICAN STERILIZER CO (US) 2009-09-16 CN disclosed