SCHEMBL7056168

SCHEMBL7056168

CC(=O)OC[C@H]1O[C@@H](NC(=O)c2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.62
▸ CA12 O43570 16/20 0.59
▸ CA1 P00915 16/20 0.59
▸ CA2 P00918 16/20 0.59
▸ CA9 Q16790 15/20 0.59
▸ CA14 Q9ULX7 12/20 0.59
▸ LMNA P02545 2/20 0.54
▸ PRKCA P17252 1/20 0.53
▸ AKT1 P31749 1/20 0.53
▸ PTK2 Q05397 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ CA4 P22748 1/20 0.49
▸ CA5A P35218 1/20 0.49
▸ CA7 P43166 1/20 0.49
▸ CA5B Q9Y2D0 1/20 0.49

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
SCHEMBL7051012 0.94 CA12 (0.65) TSHRCA12CA1CA2CA9
SCHEMBL16492293 0.84 CA12 (0.55) TSHRCA12CA1CA2CA9
SCHEMBL3393349 0.84 LMNA (0.73) TSHRCA12CA1CA2CA9
SCHEMBL20202226 0.84 LMNA (0.73) TSHRCA12CA1CA2CA9
SCHEMBL20202245 0.84 LMNA (0.58) TSHRCA12CA1CA2CA9
SCHEMBL17527987 0.84 LMNA (0.73) TSHRCA12CA1CA2CA9
SCHEMBL7152557 0.84 LMNA (0.73) TSHRCA12CA1CA2CA9
SCHEMBL20202239 0.84 LMNA (0.73) TSHRCA12CA1CA2CA9
SCHEMBL7152558 0.84 LMNA (0.73) TSHRCA12CA1CA2CA9
SCHEMBL20202228 0.84 LMNA (0.73) TSHRCA12CA1CA2CA9

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-2003018598-A2 MONOSACCHARIDE DERIVATIVES UNIVERSITY COLLEGE DUBLIN (IE) 2003-03-06 — — WO disclosed
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