SCHEMBL20099413

SCHEMBL20099413

CC(=O)N[C@H]1C(CS)O[C@H](CO)[C@H](O)[C@@H]1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.53
▸ THRB P10828 1/20 0.53
▸ MAPK1 P28482 2/20 0.51
▸ LGALS8 O00214 1/20 0.46
▸ LGALS3 P17931 1/20 0.46
▸ LGALS4 P56470 1/20 0.46
▸ 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
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 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
SCHEMBL12936319 0.90 ALDH1A1 (0.58) ALDH1A1THRBMAPK1CD69SMN1; SMN2
SCHEMBL17771655 0.90 ALDH1A1 (0.58) ALDH1A1THRBMAPK1CD69SMN1; SMN2
SCHEMBL16393013 0.85 ALDH1A1 (0.55) ALDH1A1THRBMAPK1CD69SMN1; SMN2
SCHEMBL22431361 0.85 ALDH1A1 (0.58) ALDH1A1THRBMAPK1CD69SMN1; SMN2
SCHEMBL20842452 0.85 ALDH1A1 (0.58) ALDH1A1THRBMAPK1CD69SMN1; SMN2
SCHEMBL18573708 0.85 ALDH1A1 (0.58) ALDH1A1THRBMAPK1CD69SMN1; SMN2
SCHEMBL18735615 0.85 ALDH1A1 (0.58) ALDH1A1THRBMAPK1CD69SMN1; SMN2
SCHEMBL24768349 0.84 ALDH1A1 (0.53) ALDH1A1THRBMAPK1CD69SMN1; SMN2
SCHEMBL18095809 0.84 ALDH1A1 (0.53) ALDH1A1THRBMAPK1CD69SMN1; SMN2
SCHEMBL18095805 0.84 ALDH1A1 (0.53) 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
US-9957292-B2 Compositions and methods for modulating angiopoietin-like 3 expression IONIS PHARMACEUTICALS, INC. (US) 2018-05-01 — — US disclosed
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