SCHEMBL10495769

SCHEMBL10495769

CC(=O)OC[C@H]1O[C@@H](OCc2ccccc2O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.57
▸ P4HB P07237 1/20 0.54
▸ PDIA4 P13667 1/20 0.54
▸ PDIA3 P30101 1/20 0.54
▸ CA2 P00918 10/20 0.52
▸ CA1 P00915 9/20 0.52
▸ CA9 Q16790 8/20 0.52
▸ CYP2D6 P10635 2/20 0.52
▸ THRB P10828 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ CA12 O43570 6/20 0.51
▸ CA4 P22748 6/20 0.51
▸ CA5A P35218 6/20 0.51
▸ CA7 P43166 6/20 0.51
▸ CA5B Q9Y2D0 6/20 0.51
▸ CA6 P23280 4/20 0.51
▸ CA13 Q8N1Q1 4/20 0.51
▸ CA14 Q9ULX7 4/20 0.51
▸ LMNA P02545 1/20 0.50
▸ ALDH1A1 P00352 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
SCHEMBL10495788 1.00 TSHR (0.57) TSHRP4HBPDIA4PDIA3CA2
SCHEMBL10495776 1.00 TSHR (0.57) TSHRP4HBPDIA4PDIA3CA2
SCHEMBL10359936 0.85 TSHR (0.64) TSHRCA2CA1CA9CYP2D6
SCHEMBL8722654 0.85 TSHR (0.64) TSHRCA2CA1CA9CYP2D6
SCHEMBL8722653 0.85 TSHR (0.64) TSHRCA2CA1CA9CYP2D6
SCHEMBL23742930 0.85 TSHR (0.64) TSHRCA2CA1CA9CYP2D6
SCHEMBL15514610 0.85 TSHR (0.64) TSHRCA2CA1CA9CYP2D6
Catechol SCHEMBL6657117 0.84 TSHR (0.62) TSHRP4HBPDIA4PDIA3CA2
SCHEMBL6867867 0.83 LMNA (0.62) TSHRCA2CA1CA9CYP2D6
SCHEMBL6859193 0.83 LMNA (0.62) TSHRCA2CA1CA9CYP2D6

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
US-4874852-A Glycosidation catalust and process for preparing glycoside derivatives NIPPON FINE CHEMICAL CO., LTD. (JP) 1989-10-17 — — US disclosed
EP-0263027-A1 Glycosidation catalyst and process for preparing glycoside derivatives NIPPON FINE CHEMICAL CO., LTD. (JP) 1988-04-06 — — EP disclosed
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