SCHEMBL29815682

SCHEMBL29815682

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.50
▸ LAP3 P28838 3/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ MAPT P10636 1/20 0.45
▸ FOLH1 Q04609 2/20 0.43
▸ MME P08473 5/20 0.43
▸ LTA4H P09960 1/20 0.41

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
SCHEMBL11568115 0.96 ALDH1A1 (0.46) ALDH1A1LAP3MEN1LMNAKMT2A
SCHEMBL11568110 0.96 ALDH1A1 (0.46) ALDH1A1LAP3MEN1LMNAKMT2A
SCHEMBL8656320 0.94 ALDH1A1 (0.45) ALDH1A1LAP3MEN1LMNAKMT2A
SCHEMBL8656318 0.94 ALDH1A1 (0.45) ALDH1A1LAP3MEN1LMNAKMT2A
SCHEMBL29777830 0.93 MME (0.46) ALDH1A1LAP3MEN1LMNAKMT2A
SCHEMBL31738432 0.89 ALDH1A1 (0.49) ALDH1A1LAP3MEN1LMNAKMT2A
SCHEMBL30050920 0.89 ALDH1A1 (0.51) ALDH1A1LAP3MEN1LMNAKMT2A
SCHEMBL29531487 0.89 ALDH1A1 (0.51) ALDH1A1LAP3MEN1LMNAKMT2A
SCHEMBL30423437 0.89 ALDH1A1 (0.51) ALDH1A1LAP3MEN1LMNAKMT2A
Alanyl-Dl-Leucine SCHEMBL1171453 0.88 ALDH1A1 (0.62) 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
CN-113373128-B Epoxide hydrolase mutant with improved catalytic efficiency and preparation method thereof 深圳市微滴科技顾问有限公司 2022-09-16 — — CN disclosed
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