SCHEMBL3972810

SCHEMBL3972810

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ CA2 P00918 8/20 0.47
▸ OGA O60502 1/20 0.45
▸ CA1 P00915 7/20 0.45
▸ CA12 O43570 6/20 0.45
▸ CA4 P22748 4/20 0.45
▸ CA5A P35218 4/20 0.45
▸ CA5B Q9Y2D0 4/20 0.45
▸ CA7 P43166 3/20 0.45
▸ P4HB P07237 1/20 0.41
▸ PDIA4 P13667 1/20 0.41
▸ PDIA3 P30101 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ NR3C1 P04150 1/20 0.40
▸ FYN P06241 1/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ ADRA2B P18089 1/20 0.40

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
SCHEMBL4619733 1.00 CYP2D6 (0.51) CYP2D6THRBHSD17B10CA2OGA
SCHEMBL313683 1.00 CYP2D6 (0.51) CYP2D6THRBHSD17B10CA2OGA
SCHEMBL13928976 1.00 CYP2D6 (0.51) CYP2D6THRBHSD17B10CA2OGA
SCHEMBL9616862 1.00 CYP2D6 (0.51) CYP2D6THRBHSD17B10CA2OGA
SCHEMBL6230386 1.00 CYP2D6 (0.51) CYP2D6THRBHSD17B10CA2OGA
SCHEMBL4619592 1.00 CYP2D6 (0.51) CYP2D6THRBHSD17B10CA2OGA
SCHEMBL8089407 1.00 CYP2D6 (0.51) CYP2D6THRBHSD17B10CA2OGA
SCHEMBL314060 1.00 CYP2D6 (0.51) CYP2D6THRBHSD17B10CA2OGA
SCHEMBL314061 1.00 CYP2D6 (0.51) CYP2D6THRBHSD17B10CA2OGA
SCHEMBL1686174 1.00 CYP2D6 (0.51) CYP2D6THRBHSD17B10CA2OGA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115521350-A Near-infrared one-zone multifunctional fluorescent linker based on beta-lactase response, preparation method and application 西安交通大学 2022-12-27 — — CN disclosed
EP-2625184-B1 ANTIDIABETIC ENOLIC GLUCOSIDE OF PHENYLPYRUVIC ACID ZADEC APS (DK) 2014-10-01 — — EP disclosed
US-8796436-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2014-08-05 — — US disclosed
US-7572604-B2 Modified carbohydrate processing enzyme ISIS INNOVATION LIMITED (GB) 2009-08-11 — — US disclosed
US-20090181444-A1 MODIFIED CARBOHYDRATE PROCESSING ENZYME ISIS INNOVATION LIMITED (GB) 2009-07-16 — — US disclosed
US-5098828-A Immunoassay and testing GEIGER REINHARD (DE) 1992-03-24 — — US disclosed
EP-0243429-B1 D-LUCIFERIN DERIVATIVES AND THEIR USE Geiger, Reinhard, Dr. (DE) 1991-01-23 — — EP disclosed
EP-0243429-A1 D-LUCIFERIN DERIVATIVES AND THEIR USE. GEIGER REINHARD DR (DE) 1987-11-04 — — EP disclosed
WO-1987002667-A1 D-LUCIFERIN DERIVATIVES AND THEIR USE GEIGER REINHARD (DE) 1987-05-07 — — WO disclosed
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