Isoleucine

Isoleucine

SCHEMBL18705524

CC[C@H](C)[C@H](N)C(=O)O.CN[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.44
▸ LAP3 P28838 3/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SLC7A5 Q01650 2/20 0.41
▸ MAPT P10636 1/20 0.40
▸ FOLH1 Q04609 3/20 0.38
▸ PLA2G2A P14555 2/20 0.38
▸ PLA2G5 P39877 2/20 0.38
▸ SLC1A3 P43003 1/20 0.37
▸ SLC1A2 P43004 1/20 0.37
▸ LTA4H P09960 1/20 0.37
▸ DPP4 P27487 1/20 0.36
▸ DPP8 Q6V1X1 1/20 0.36
▸ DPP9 Q86TI2 1/20 0.36
▸ GRN P28799 1/20 0.35
▸ SORT1 Q99523 1/20 0.35

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
SCHEMBL8741147 0.83 SLC7A5 (0.53) ALDH1A1LAP3MEN1LMNAKMT2A
Alanine SCHEMBL9439316 0.82 ALDH1A1 (0.53) ALDH1A1LAP3MEN1LMNAKMT2A
D-Alanine SCHEMBL3421250 0.82 ALDH1A1 (0.53) ALDH1A1LAP3MEN1LMNAKMT2A
Alanine SCHEMBL516189 0.82 ALDH1A1 (0.53) ALDH1A1LAP3MEN1LMNAKMT2A
SCHEMBL93452 0.82 ALDH1A1 (0.61) ALDH1A1LAP3MEN1LMNAKMT2A
SCHEMBL93451 0.82 ALDH1A1 (0.61) ALDH1A1LAP3MEN1LMNAKMT2A
SCHEMBL93453 0.82 ALDH1A1 (0.61) ALDH1A1LAP3MEN1LMNAKMT2A
SCHEMBL3402343 0.80 ALDH1A1 (0.53) ALDH1A1LAP3MEN1LMNAKMT2A
SCHEMBL18766260 0.80 ALDH1A1 (0.53) ALDH1A1LAP3MEN1LMNAKMT2A
SCHEMBL3010038 0.80 ALDH1A1 (0.53) ALDH1A1LAP3MEN1LMNAKMT2A

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-2017062622-A1 SUPRAMOLECULAR MODIFICATION OF PROTEINS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-04-13 — — WO disclosed
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