SCHEMBL22659917

SCHEMBL22659917

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ TSHR P16473 1/20 0.55
▸ NR3C1 P04150 1/20 0.55
▸ FYN P06241 1/20 0.55
▸ ADRA2A P08913 1/20 0.55
▸ ADORA3 P0DMS8 1/20 0.55
▸ ADRA2B P18089 1/20 0.55
▸ DRD4 P21917 1/20 0.55
▸ DRD3 P35462 1/20 0.55
▸ CA2 P00918 12/20 0.54
▸ CA12 O43570 11/20 0.54
▸ CA1 P00915 11/20 0.54
▸ CA9 Q16790 8/20 0.54
▸ PKM P14618 1/20 0.49
▸ PTPN1 P18031 1/20 0.49
▸ CA4 P22748 5/20 0.47
▸ CA5A P35218 5/20 0.47
▸ CA7 P43166 5/20 0.47

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
SCHEMBL22659914 1.00 THRB (0.56) THRBCYP2D6HSD17B10TSHRNR3C1
SCHEMBL2215629 0.98 CYP2D6 (0.58) THRBCYP2D6HSD17B10TSHRNR3C1
SCHEMBL2037245 0.98 CYP2D6 (0.58) THRBCYP2D6HSD17B10TSHRNR3C1
SCHEMBL8028101 0.98 CYP2D6 (0.58) THRBCYP2D6HSD17B10TSHRNR3C1
SCHEMBL20820941 0.98 CYP2D6 (0.58) THRBCYP2D6HSD17B10TSHRNR3C1
SCHEMBL17993795 0.98 CYP2D6 (0.58) THRBCYP2D6HSD17B10TSHRNR3C1
SCHEMBL16731431 0.98 CYP2D6 (0.58) THRBCYP2D6HSD17B10TSHRNR3C1
SCHEMBL21021147 0.98 CYP2D6 (0.58) THRBCYP2D6HSD17B10TSHRNR3C1
SCHEMBL813505 0.98 CYP2D6 (0.58) THRBCYP2D6HSD17B10TSHRNR3C1
SCHEMBL7935847 0.98 CYP2D6 (0.58) THRBCYP2D6HSD17B10TSHRNR3C1

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-2020232194-A1 METHODS FOR GLYCOSYLATION THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-11-19 — — WO disclosed
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