SCHEMBL3954196

SCHEMBL3954196

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.63
▸ THRB P10828 1/20 0.63
▸ HSD17B10 Q99714 1/20 0.63
▸ CA2 P00918 6/20 0.57
▸ TSHR P16473 1/20 0.54
▸ NR3C1 P04150 1/20 0.51
▸ FYN P06241 1/20 0.51
▸ ADRA2A P08913 1/20 0.51
▸ ADORA3 P0DMS8 1/20 0.51
▸ ADRA2B P18089 1/20 0.51
▸ DRD4 P21917 1/20 0.51
▸ DRD3 P35462 1/20 0.51
▸ CA12 O43570 5/20 0.50
▸ CA1 P00915 5/20 0.50
▸ CA9 Q16790 3/20 0.50
▸ MAPT P10636 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ CA4 P22748 2/20 0.47
▸ CA5A P35218 2/20 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
SCHEMBL6218607 1.00 CYP2D6 (0.63) CYP2D6THRBHSD17B10CA2TSHR
SCHEMBL14303175 1.00 CYP2D6 (0.63) CYP2D6THRBHSD17B10CA2TSHR
SCHEMBL6219186 1.00 CYP2D6 (0.63) CYP2D6THRBHSD17B10CA2TSHR
SCHEMBL3944572 1.00 CYP2D6 (0.63) CYP2D6THRBHSD17B10CA2TSHR
SCHEMBL6218713 1.00 CYP2D6 (0.63) CYP2D6THRBHSD17B10CA2TSHR
SCHEMBL6218717 1.00 CYP2D6 (0.63) CYP2D6THRBHSD17B10CA2TSHR
SCHEMBL25326281 1.00 CYP2D6 (0.63) CYP2D6THRBHSD17B10CA2TSHR
SCHEMBL6218611 1.00 CYP2D6 (0.63) CYP2D6THRBHSD17B10CA2TSHR
SCHEMBL6219180 1.00 CYP2D6 (0.63) CYP2D6THRBHSD17B10CA2TSHR
SCHEMBL14304869 0.95 CYP2D6 (0.57) CYP2D6THRBHSD17B10CA2TSHR

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-2009021750-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2009-02-19 — — WO disclosed
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