SCHEMBL8677499

SCHEMBL8677499

O=c1oc(C=Cc2ccc(O)c(O)c2)cc(O)c1C(c1ccsc1)c1c(O)cc(C=Cc2ccc(O)c(O)c2)oc1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.51
KDM4E B2RXH2 4/20 0.51
HSD17B10 Q99714 4/20 0.51
ALDH1A1 P00352 3/20 0.51
LMNA P02545 3/20 0.51
POLB P06746 3/20 0.51
MAPT P10636 3/20 0.51
HPGD P15428 3/20 0.51
PMP22 Q01453 3/20 0.51
TDP1 Q9NUW8 3/20 0.51
CYP3A4 P08684 3/20 0.51
CYP2C9 P11712 3/20 0.51
ALOX12 P18054 3/20 0.51
APEX1 P27695 2/20 0.51
TSHR P16473 2/20 0.51
NFKB1 P19838 2/20 0.51
MAPK1 P28482 2/20 0.51
BLM P54132 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALOX15 P16050 2/20 0.51

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
SCHEMBL8859595 0.86 KDM4E (0.55) HIF1AKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL8859491 0.83 KDM4E (0.52) HIF1AKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL8859593 0.83 MAPT (0.56) HIF1AKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL8859472 0.81 MAPT (0.53) HIF1AKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL8859509 0.80 MAPT (0.48) HIF1AKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL8677990 0.80 KDM4E (0.51) HIF1AKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL8859574 0.79 MAPT (0.60) HIF1AKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL8859578 0.79 MAPT (0.47) HIF1AKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL8859510 0.77 HIF1A (0.56) HIF1AKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL8859412 0.75 KDM4E (0.48) HIF1AKDM4EHSD17B10ALDH1A1LMNA

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-5731344-A DIABETES, ATHEROSCLEROSIS, ARTERIOSCLEROSIS; INHIBITORS OF ADVANCED GLYCOSYLATION ENDPRODUCTS BOEHRINGER MANNHEIM GMBH (DE) 1998-03-24 US disclosed