SCHEMBL8675339

SCHEMBL8675339

O=c1oc(C=Cc2ccc(O)c(O)c2)cc(O)c1C(c1ccc[nH]1)c1c(O)cc(C=Cc2ccc(O)c(O)c2)oc1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
MAPT P10636 3/20 0.48
MAPK1 P28482 3/20 0.48
HSD17B10 Q99714 3/20 0.48
HIF1A Q16665 3/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
POLB P06746 2/20 0.48
HPGD P15428 2/20 0.48
APEX1 P27695 2/20 0.48
PMP22 Q01453 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
TSHR P16473 2/20 0.48
NFKB1 P19838 2/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALOX15 P16050 1/20 0.48

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
SCHEMBL8859412 1.00 KDM4E (0.48) KDM4EMAPTMAPK1HSD17B10HIF1A
SCHEMBL8859491 0.81 KDM4E (0.52) KDM4EMAPTMAPK1HSD17B10HIF1A
SCHEMBL8859595 0.81 KDM4E (0.55) KDM4EMAPTMAPK1HSD17B10HIF1A
Hydrochloric Acid SCHEMBL8677972 0.79 KDM4E (0.45) KDM4EMAPTMAPK1HSD17B10HIF1A
SCHEMBL8859593 0.79 MAPT (0.56) KDM4EMAPTMAPK1HSD17B10HIF1A
SCHEMBL8677990 0.77 KDM4E (0.51) KDM4EMAPTMAPK1HSD17B10HIF1A
SCHEMBL8859472 0.77 MAPT (0.53) KDM4EMAPTMAPK1HSD17B10HIF1A
Hydrochloric Acid SCHEMBL8676433 0.76 NQO1 (0.48) KDM4EMAPTMAPK1HSD17B10HIF1A
SCHEMBL8677499 0.75 HIF1A (0.51) KDM4EMAPTMAPK1HSD17B10HIF1A
SCHEMBL8859509 0.75 MAPT (0.48) KDM4EMAPTMAPK1HSD17B10HIF1A

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 2 patents. 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
EP-0720608-B1 NOVEL DIHISPIDINE DERIVATIVES, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1997-07-09 EP disclosed