SCHEMBL7980070

SCHEMBL7980070

COc1cc(C)cc(B(O)OB(OB(O)c2cc(C)cc(OC)c2O)c2cc(C)cc(OC)c2O)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.47
ACHE P22303 2/20 0.38
MAPT P10636 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
PTGS2 P35354 2/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
MPI P34949 1/20 0.33
RECQL P46063 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
PKM P14618 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33

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
SCHEMBL7980063 0.82 ERN1 (0.56) ERN1ACHEMAPTKMT2AKDM4E
SCHEMBL7241379 0.82 ERN1 (0.56) ERN1ACHEMAPTKMT2AKDM4E
SCHEMBL7776335 0.81 KDM4E (0.39) ERN1MAPTKDM4EALDH1A1GAA
SCHEMBL7980067 0.78 ERN1 (0.45) ERN1ACHEMAPTKMT2AKDM4E
SCHEMBL562147 0.73 ERN1 (0.63) ERN1ACHEMAPTKMT2AKDM4E
SCHEMBL7772580 0.71 KDM4E (0.50) ERN1MAPTKDM4EALDH1A1GAA
SCHEMBL10053939 0.69 SELL (0.62) ERN1ACHEMAPTKMT2AKDM4E
SCHEMBL1126254 0.69 ACHE (0.48) ERN1ACHEMAPTKMT2AKDM4E
SCHEMBL678214 0.68 ERN1 (0.57) ERN1ACHEMAPTKMT2AKDM4E
SCHEMBL7520392 0.68 ERN1 (0.57) ERN1ACHEMAPTKMT2AKDM4E

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
US-6177419-B1 ANTIOXIDANT CHELATE COMPOUNDS FOR PREVENTING OXYGEN FREE RADICAL-ASSOCIATED DISEASES IN MAMMALS; NEUROPROTECTANTS, SUPEROXIDE DISMUTASE (SOD), CATALASE (CAT) AND/OR PEROXIDASE (POD) MIMETICS EUKARION, INC. 2001-01-23 US disclosed