SCHEMBL12450812

SCHEMBL12450812

CC(=O)OCC1OC(OCC(=O)c2ccc(O)c(O)c2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.56
▸ CYP2D6 P10635 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ CA2 P00918 9/20 0.48
▸ TSHR P16473 1/20 0.48
▸ CA1 P00915 8/20 0.47
▸ CA12 O43570 6/20 0.47
▸ CA4 P22748 6/20 0.47
▸ CA5A P35218 6/20 0.47
▸ CA7 P43166 6/20 0.47
▸ CA5B Q9Y2D0 6/20 0.47
▸ P4HB P07237 1/20 0.47
▸ PDIA4 P13667 1/20 0.47
▸ PDIA3 P30101 1/20 0.47
▸ CA9 Q16790 7/20 0.46
▸ CA6 P23280 4/20 0.44
▸ CA13 Q8N1Q1 4/20 0.44
▸ CA14 Q9ULX7 4/20 0.44

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
SCHEMBL8977510 0.84 TSHR (0.61) PTPN1CYP2D6THRBHSD17B10CA2
SCHEMBL13875363 0.81 TSHR (0.49) CYP2D6THRBHSD17B10CA2TSHR
SCHEMBL13875392 0.79 CYP2D6 (0.48) CYP2D6THRBHSD17B10CA2TSHR
SCHEMBL8660349 0.78 PRKCA (0.52) CYP2D6THRBHSD17B10CA2TSHR
SCHEMBL8660352 0.78 PRKCA (0.52) CYP2D6THRBHSD17B10CA2TSHR
Catechol SCHEMBL6657117 0.77 TSHR (0.62) PTPN1CYP2D6THRBHSD17B10CA2
SCHEMBL24297576 0.77 P4HB (0.52) PTPN1CYP2D6THRBHSD17B10CA2
SCHEMBL25785178 0.77 P4HB (0.52) PTPN1CYP2D6THRBHSD17B10CA2
SCHEMBL25721339 0.77 P4HB (0.52) PTPN1CYP2D6THRBHSD17B10CA2
SCHEMBL25721227 0.77 P4HB (0.52) PTPN1CYP2D6THRBHSD17B10CA2

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
EP-1891086-B1 METHOD FOR THE SYNTHESIS OF ANTHOCYANINS BIOSYNTH AS (NO) 2011-08-24 — — EP disclosed
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