SCHEMBL11208005

SCHEMBL11208005

O=c1c(OS(=O)(=O)O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(OS(=O)(=O)O)c12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.64
POLH Q9Y253 6/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
KDM4E B2RXH2 3/20 0.60
POLB P06746 3/20 0.60
GAA P10253 3/20 0.60
RECQL P46063 3/20 0.60
HSD17B10 Q99714 3/20 0.60
MMP1 P03956 2/20 0.60
MAPT P10636 2/20 0.60
APEX1 P27695 2/20 0.60
BLM P54132 2/20 0.60
HTT P42858 1/20 0.60
NOX4 Q9NPH5 3/20 0.58
EPHX2 P34913 2/20 0.53
USP2 O75604 2/20 0.53
TP53 P04637 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53

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
SCHEMBL29897597 0.91 POLH (0.72) POLHMEN1KMT2AKDM4EPOLB
SCHEMBL3403244 0.91 POLH (0.72) POLHMEN1KMT2AKDM4EPOLB
SCHEMBL9818300 0.90 NOX4 (0.73) F10POLHMEN1KMT2AKDM4E
SCHEMBL8015255 0.86 TUBB4A (0.67) F10POLHMEN1KMT2AKDM4E
SCHEMBL10861623 0.82 POLH (0.78) POLHMEN1KMT2AKDM4EPOLB
SCHEMBL4321689 0.82 POLH (0.66) POLHMEN1KMT2AKDM4EPOLB
SCHEMBL3735018 0.81 MEN1 (0.71) POLHMEN1KMT2AKDM4EPOLB
SCHEMBL3727374 0.81 TUBB4A (0.80) POLHMEN1KMT2AKDM4EPOLB
SCHEMBL4275324 0.81 GAA (0.78) MEN1KMT2AKDM4EPOLBGAA
SCHEMBL5072262 0.81 F10 (0.72) F10POLHMEN1KMT2AKDM4E

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-0024731-B1 A PHOTOSTABLE ANTHOCYANIC COLORANT COMPOSITION AND ITS USE IN A FOOD COMPOSITION THE COCA-COLA COMPANY (US) 1983-09-07 EP claimed