SCHEMBL21261703

SCHEMBL21261703

CC(O)CC(=O)NCCCCC(NC(=O)CC(C)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 6/20 0.48
▸ NOD1 Q9Y239 3/20 0.44
▸ ALB P02768 2/20 0.43
▸ HDAC2 Q92769 1/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GLP1R P43220 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL16467973 0.83 FOLH1 (0.54) FOLH1NOD1HDAC2
SCHEMBL16467972 0.83 FOLH1 (0.54) FOLH1NOD1HDAC2
SCHEMBL28531452 0.82 C3AR1 (0.42) FOLH1NOD1HDAC2
SCHEMBL28531459 0.82 C3AR1 (0.42) FOLH1NOD1HDAC2
SCHEMBL21261702 0.82 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1
SCHEMBL21261777 0.79 ALDH1A1 (0.43) FOLH1SMN1; SMN2ALDH1A1
SCHEMBL31207026 0.79 OTC (0.53) NOD1SMN1; SMN2ALDH1A1
SCHEMBL29128940 0.79 OTC (0.53) NOD1SMN1; SMN2ALDH1A1
SCHEMBL14984047 0.79 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1
SCHEMBL27097932 0.79 NOD1 (0.46) FOLH1NOD1GLP1RALDH1A1

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-2019104851-A4 BETA-HYDROXYBUTYRYL-AMINO ACID COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 刘成 2019-08-15 — — WO disclosed
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