SCHEMBL16393013

SCHEMBL16393013

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

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.55
▸ THRB P10828 1/20 0.55
▸ MAPK1 P28482 2/20 0.52
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ CD69 Q07108 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ PYGB P11216 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ OGA O60502 1/20 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
SCHEMBL17771655 0.91 ALDH1A1 (0.58) ALDH1A1THRBMAPK1CA1CA2
SCHEMBL12936319 0.91 ALDH1A1 (0.58) ALDH1A1THRBMAPK1CA1CA2
SCHEMBL20842452 0.87 ALDH1A1 (0.58) ALDH1A1THRBMAPK1CA1CA2
SCHEMBL22431361 0.87 ALDH1A1 (0.58) ALDH1A1THRBMAPK1CA1CA2
SCHEMBL18573708 0.87 ALDH1A1 (0.58) ALDH1A1THRBMAPK1CA1CA2
SCHEMBL18735615 0.87 ALDH1A1 (0.58) ALDH1A1THRBMAPK1CA1CA2
SCHEMBL24768349 0.85 ALDH1A1 (0.53) ALDH1A1THRBMAPK1CA1CA2
SCHEMBL20099413 0.85 ALDH1A1 (0.53) ALDH1A1THRBMAPK1CA1CA2
SCHEMBL18095809 0.85 ALDH1A1 (0.53) ALDH1A1THRBMAPK1CA1CA2
SCHEMBL18095805 0.85 ALDH1A1 (0.53) ALDH1A1THRBMAPK1CA1CA2

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
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