SCHEMBL16392945

SCHEMBL16392945

O=C(CCCCOC1OC(CO)[C@H](O)C(O)C1NC(=O)C(F)(F)F)ON1C(=O)CCC1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.46
▸ CA1 P00915 3/20 0.39
▸ CA2 P00918 3/20 0.39
▸ CA9 Q16790 3/20 0.39
▸ LGALS8 O00214 1/20 0.39
▸ LGALS3 P17931 1/20 0.39
▸ LGALS4 P56470 1/20 0.39
▸ B4GALT1 P15291 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HK2 P52789 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ THRB P10828 1/20 0.33

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
SCHEMBL16392947 1.00 MAPK1 (0.46) MAPK1CA1CA2CA9LGALS8
SCHEMBL18349883 1.00 MAPK1 (0.46) MAPK1CA1CA2CA9LGALS8
SCHEMBL16393105 1.00 MAPK1 (0.46) MAPK1CA1CA2CA9LGALS8
SCHEMBL18349758 1.00 MAPK1 (0.46) MAPK1CA1CA2CA9LGALS8
SCHEMBL16393104 1.00 MAPK1 (0.46) MAPK1CA1CA2CA9LGALS8
SCHEMBL22559805 1.00 MAPK1 (0.46) MAPK1CA1CA2CA9LGALS8
SCHEMBL17860903 0.88 MAPK1 (0.61) MAPK1CA1CA2CA9LGALS8
SCHEMBL18349754 0.85 HK2 (0.35) MAPK1HK2
SCHEMBL16393103 0.81 MAPK1 (0.56) MAPK1CA1CA2CA9LGALS8
SCHEMBL16393098 0.81 MAPK1 (0.56) MAPK1CA1CA2CA9LGALS8

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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