SCHEMBL8675671

SCHEMBL8675671

[CH]c1ccc(OCc2c(O)cc(C=Cc3ccc(O)c(O)c3)oc2=O)c(OCc2c(O)cc(C=Cc3ccc(O)c(O)c3)oc2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.48
ALOX12 P18054 3/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
POLB P06746 2/20 0.48
MAPT P10636 2/20 0.48
HPGD P15428 2/20 0.48
BLM P54132 2/20 0.48
PMP22 Q01453 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
ALOX15 P16050 2/20 0.48
THPO P40225 2/20 0.48
HSD17B10 Q99714 2/20 0.48
APEX1 P27695 1/20 0.48
RECQL P46063 1/20 0.48
TSHR P16473 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
SCHEMBL8681110 0.92 HIF1A (0.43) HIF1AALOX12KDM4EALDH1A1LMNA
SCHEMBL8676895 0.79 HIF1A (0.48) HIF1AALOX12KDM4EALDH1A1LMNA
SCHEMBL8676491 0.78 KDM4E (0.60) HIF1AALOX12KDM4EALDH1A1LMNA
SCHEMBL29781217 0.71 KDM4E (0.65) HIF1AALOX12KDM4EALDH1A1LMNA
SCHEMBL20254622 0.71 KDM4E (0.65) HIF1AALOX12KDM4EALDH1A1LMNA
SCHEMBL20254520 0.71 KDM4E (0.65) HIF1AALOX12KDM4EALDH1A1LMNA
Hispidin SCHEMBL246649 0.67 ALOX12 (1.00) HIF1AALOX12KDM4EALDH1A1LMNA
Hispidin SCHEMBL3791520 0.67 ALOX12 (1.00) HIF1AALOX12KDM4EALDH1A1LMNA
Hispidin SCHEMBL28261094 0.67 ALOX12 (1.00) HIF1AALOX12KDM4EALDH1A1LMNA
SCHEMBL16506390 0.66 ALOX12 (0.65) HIF1AALOX12KDM4EALDH1A1LMNA

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