SCHEMBL16393103

SCHEMBL16393103

O=C(O)CCCCO[C@@H]1OC(CO)[C@H](O)C(O)[C@@H]1NC(=O)C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.56
▸ LGALS8 O00214 2/20 0.45
▸ LGALS3 P17931 2/20 0.45
▸ LGALS4 P56470 2/20 0.45
▸ CA1 P00915 3/20 0.43
▸ CA2 P00918 3/20 0.43
▸ CA9 Q16790 3/20 0.43
▸ IGF2R P11717 2/20 0.40
▸ B4GALT1 P15291 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ THRB P10828 1/20 0.39

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
SCHEMBL18349900 1.00 MAPK1 (0.56) MAPK1LGALS8LGALS3LGALS4CA1
SCHEMBL16392943 1.00 MAPK1 (0.56) MAPK1LGALS8LGALS3LGALS4CA1
SCHEMBL16392946 1.00 MAPK1 (0.56) MAPK1LGALS8LGALS3LGALS4CA1
SCHEMBL18349755 1.00 MAPK1 (0.56) MAPK1LGALS8LGALS3LGALS4CA1
SCHEMBL16393098 1.00 MAPK1 (0.56) MAPK1LGALS8LGALS3LGALS4CA1
SCHEMBL19700758 0.86 MAPK1 (0.58) MAPK1LGALS8LGALS3LGALS4CA1
SCHEMBL17860902 0.85 MAPK1 (0.76) MAPK1LGALS8LGALS3LGALS4CA1
SCHEMBL24724835 0.82 MAPK1 (0.53) MAPK1LGALS8LGALS3LGALS4CA1
SCHEMBL29172928 0.82 MAPK1 (0.54) MAPK1LGALS8LGALS3LGALS4CA1
SCHEMBL18349883 0.81 MAPK1 (0.46) MAPK1LGALS8LGALS3LGALS4CA1

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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