SCHEMBL12930219

SCHEMBL12930219

C[C@@H]1O[C@H](CO)C(O)C1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LGALS1 P09382 2/20 0.39
▸ LGALS3 P17931 2/20 0.39
▸ LGALS9 O00182 1/20 0.39
▸ LGALS8 O00214 1/20 0.39
▸ TSHR P16473 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ GJA1 P17302 1/20 0.36
▸ GJB2 P29033 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CA12 O43570 3/20 0.35
▸ CA1 P00915 3/20 0.35
▸ CA2 P00918 3/20 0.35
▸ CA9 Q16790 3/20 0.35
▸ ALOX15 P16050 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ PYGB P11216 2/20 0.34

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
SCHEMBL12899652 1.00 LGALS1 (0.39) LGALS1LGALS3LGALS9LGALS8TSHR
SCHEMBL20695753 1.00 LGALS1 (0.39) LGALS1LGALS3LGALS9LGALS8TSHR
SCHEMBL18805908 1.00 LGALS1 (0.39) LGALS1LGALS3LGALS9LGALS8TSHR
SCHEMBL18805911 1.00 LGALS1 (0.39) LGALS1LGALS3LGALS9LGALS8TSHR
SCHEMBL18805882 1.00 LGALS1 (0.39) LGALS1LGALS3LGALS9LGALS8TSHR
SCHEMBL18805925 1.00 LGALS1 (0.39) LGALS1LGALS3LGALS9LGALS8TSHR
SCHEMBL18805884 1.00 LGALS1 (0.39) LGALS1LGALS3LGALS9LGALS8TSHR
SCHEMBL24725036 0.93 LGALS1 (0.42) LGALS1LGALS3LGALS9LGALS8LMNA
SCHEMBL5537919 0.93 LGALS1 (0.42) LGALS1LGALS3LGALS9LGALS8LMNA
SCHEMBL15383279 0.93 LGALS1 (0.42) LGALS1LGALS3LGALS9LGALS8LMNA

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-2019019985-A1 SELENIUM-CONTAINING COMPOUNDS - SELENOCARBOHYDRATE, SELENOGLUCOSIDE - AND PREPARATION METHODS THEREFOR 成都丽璟科技有限公司 2019-01-31 — — WO disclosed
US-7884202-B2 Nucleobases are perfluoroalkylated in a one step process with a perfluoroalkyl halide in the presence of a sulfoxide, a peroxide and an iron compound; useful as medicinal drugs, intermediates for medicinal drugs and agricultural chemicals TOSOH CORPORATION (JP) 2011-02-08 — — US disclosed
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