Isoleucine

Isoleucine

SCHEMBL8036374

CCC(C)C(N)C(=O)O.CCc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.44
ATM Q13315 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CA1 P00915 4/20 0.41
ALDH1A1 P00352 3/20 0.40
KIF11 P52732 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CASR P41180 1/20 0.38
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
DPP8 Q6V1X1 2/20 0.37
DPP9 Q86TI2 2/20 0.37
DPP7 Q9UHL4 2/20 0.37
SLC1A3 P43003 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
DPP4 P27487 1/20 0.37

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
Isoleucine SCHEMBL8047805 1.00 CA2 (0.44) CA2ATMMEN1KMT2ACA1
Isoleucine SCHEMBL8036378 1.00 CA2 (0.44) CA2ATMMEN1KMT2ACA1
Isoleucine SCHEMBL8048122 1.00 CA2 (0.44) CA2ATMMEN1KMT2ACA1
Isoleucine SCHEMBL8047310 1.00 CA2 (0.44) CA2ATMMEN1KMT2ACA1
Valine SCHEMBL8035685 0.88 CA2 (0.46) CA2ATMALDH1A1KIF11L3MBTL1
Valine SCHEMBL8045384 0.88 CA2 (0.46) CA2ATMALDH1A1KIF11L3MBTL1
Valine SCHEMBL8045567 0.88 CA2 (0.46) CA2ATMALDH1A1KIF11L3MBTL1
Isoleucine SCHEMBL28869867 0.87 SLC1A3 (0.50) CA2CA1ALDH1A1CASRDPP8
Isoleucine SCHEMBL7996786 0.87 SLC1A3 (0.50) CA2CA1ALDH1A1CASRDPP8
Isoleucine SCHEMBL8073744 0.87 SLC1A3 (0.50) CA2CA1ALDH1A1CASRDPP8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6072083-A Method for purifying branched chain amino acids AJINOMOTO CO., INC. (JP) 2000-06-06 US claimed
US-6072083-A Method for purifying branched chain amino acids AJINOMOTO CO., INC. (JP) 2000-06-06 US disclosed