SCHEMBL28699427

SCHEMBL28699427

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

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
MEN1 O00255 1/20 0.55
LMNA P02545 1/20 0.55
KMT2A Q03164 1/20 0.55
MAPT P10636 1/20 0.51
FOLH1 Q04609 8/20 0.49
LAP3 P28838 3/20 0.46
NAALAD2 Q9Y3Q0 2/20 0.44
PLA2G2A P14555 2/20 0.44
PLA2G5 P39877 2/20 0.44
GRN P28799 1/20 0.44
SORT1 Q99523 1/20 0.44
FNTA P49354 2/20 0.43
FNTB P49356 2/20 0.43

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
SCHEMBL28699426 1.00 ALDH1A1 (0.63) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL23255900 0.82 ALDH1A1 (0.54) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL29054454 0.81 FNTA (0.69) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL15297194 0.81 FNTA (0.69) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL20335742 0.81 FNTA (0.69) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL29089013 0.79 SMN1; SMN2 (0.62) ALDH1A1MAPTFOLH1NAALAD2FNTA
SCHEMBL29089014 0.79 SMN1; SMN2 (0.62) ALDH1A1MAPTFOLH1NAALAD2FNTA
SCHEMBL8188102 0.79 ALDH1A1 (0.60) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL1711240 0.79 ALDH1A1 (0.60) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL27828839 0.79 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
CN-114096560-A Purification of sugar forms 默克专利股份公司 2022-02-25 CN disclosed