SCHEMBL17896501

SCHEMBL17896501

CCCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1NC(C)=O

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.81
▸ ALDH1A1 P00352 2/20 0.64
▸ THRB P10828 1/20 0.64
▸ CA1 P00915 2/20 0.60
▸ CA2 P00918 2/20 0.60
▸ CA9 Q16790 2/20 0.60
▸ LGALS8 O00214 1/20 0.57
▸ LGALS3 P17931 1/20 0.57
▸ LGALS4 P56470 1/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ CD69 Q07108 1/20 0.52
▸ B4GALT1 P15291 1/20 0.48

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
SCHEMBL16628272 1.00 MAPK1 (0.81) MAPK1ALDH1A1THRBCA1CA2
SCHEMBL26167578 1.00 MAPK1 (0.81) MAPK1ALDH1A1THRBCA1CA2
SCHEMBL23968747 1.00 MAPK1 (0.81) MAPK1ALDH1A1THRBCA1CA2
SCHEMBL16690927 1.00 MAPK1 (0.81) MAPK1ALDH1A1THRBCA1CA2
SCHEMBL27333328 0.92 MAPK1 (0.74) MAPK1ALDH1A1THRBCA1CA2
SCHEMBL18660816 0.92 MAPK1 (0.74) MAPK1ALDH1A1THRBCA1CA2
SCHEMBL17505984 0.92 MAPK1 (0.74) MAPK1ALDH1A1THRBCA1CA2
SCHEMBL22461938 0.92 MAPK1 (0.74) MAPK1ALDH1A1THRBCA1CA2
SCHEMBL14903046 0.92 MAPK1 (0.74) MAPK1ALDH1A1THRBCA1CA2
SCHEMBL13786399 0.92 MAPK1 (0.90) MAPK1ALDH1A1THRBCA1CA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017174657-A1 NUCLEIC ACID LINKED TO A TRIVALENT GLYCOCONJUGATE SILENCE THERAPEUTICS GMBH (DE) 2017-10-12 — — WO disclosed
US-9382540-B2 Compositions and methods for modulating angiopoietin-like 3 expression ISIS PHARMACEUTICALS, INC (US) 2016-07-05 — — US disclosed
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