SCHEMBL16393015

SCHEMBL16393015

CC(=O)NC1C(C(=O)O)OC(CO)C(O)C1O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.53
▸ THRB P10828 1/20 0.53
▸ MAPK1 P28482 2/20 0.52
▸ CD69 Q07108 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ PYGB P11216 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ OGA O60502 1/20 0.42

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
SCHEMBL1324916 1.00 ALDH1A1 (0.53) ALDH1A1THRBMAPK1CD69SMN1; SMN2
SCHEMBL28832478 0.86 ALDH1A1 (0.53) ALDH1A1THRBMAPK1CD69SMN1; SMN2
SCHEMBL26623157 0.86 ALDH1A1 (0.52) ALDH1A1THRBMAPK1CD69SMN1; SMN2
SCHEMBL19350518 0.86 ALDH1A1 (0.52) ALDH1A1THRBMAPK1CD69SMN1; SMN2
SCHEMBL12936319 0.83 ALDH1A1 (0.58) ALDH1A1THRBMAPK1CD69SMN1; SMN2
SCHEMBL17771655 0.83 ALDH1A1 (0.58) ALDH1A1THRBMAPK1CD69SMN1; SMN2
N-Acetylglucosamine SCHEMBL29459148 0.82 MAPK1 (0.64) ALDH1A1THRBMAPK1CD69SMN1; SMN2
N-Acetylglucosamine SCHEMBL28646062 0.82 MAPK1 (0.64) ALDH1A1THRBMAPK1CD69SMN1; SMN2
N-Acetylglucosamine SCHEMBL30994851 0.82 MAPK1 (0.64) ALDH1A1THRBMAPK1CD69SMN1; SMN2
N-Acetylglucosamine SCHEMBL17201981 0.82 MAPK1 (0.64) ALDH1A1THRBMAPK1CD69SMN1; SMN2

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-2015006740-A2 OLIGONUCLEOTIDE-LIGAND CONJUGATES AND PROCESS FOR THEIR PREPARATION ALNYLAM PHARMACEUTICALS, INC. (US) 2015-01-15 — — WO disclosed
Send feedback