SCHEMBL11568259

SCHEMBL11568259

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

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MAPT P10636 1/20 0.40
▸ LAP3 P28838 3/20 0.40
▸ CTSC P53634 1/20 0.39

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
SCHEMBL11568253 1.00 ALDH1A1 (0.44) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL31518662 0.94 ALDH1A1 (0.49) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL30051624 0.93 ALDH1A1 (0.50) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL29663577 0.86 ALDH1A1 (0.44) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL11568115 0.86 ALDH1A1 (0.46) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL11568110 0.86 ALDH1A1 (0.46) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL30997408 0.85 MME (0.44) —
SCHEMBL11568054 0.85 ALDH1A1 (0.60) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL11570005 0.85 ALDH1A1 (0.60) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL11569994 0.85 ALDH1A1 (0.60) ALDH1A1MEN1LMNAKMT2AMAPT

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-4146614-A TREATMENT OF SCHIZOPHRENIA STATE OF MICHIGAN (US) 1979-03-27 — — US disclosed
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