SCHEMBL8004728

SCHEMBL8004728

COc1cccc(-c2cccc(OC)c2O)c1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.70
ALDH1A1 P00352 3/20 0.70
MAPT P10636 3/20 0.70
TP53 P04637 2/20 0.70
LMNA P02545 1/20 0.70
CYP3A4 P08684 1/20 0.70
HPGD P15428 1/20 0.70
ALOX15 P16050 1/20 0.70
ALOX12 P18054 1/20 0.70
MAPK1 P28482 1/20 0.70
HSD17B10 Q99714 1/20 0.70
PKM P14618 1/20 0.58
TLR2 O60603 1/20 0.55
ERN1 O75460 1/20 0.55
TLR1 Q15399 1/20 0.55
TLR6 Q9Y2C9 1/20 0.55
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 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
SCHEMBL31536724 0.93 ALDH1A1 (0.61) KDM4EALDH1A1MAPTTP53LMNA
Syringol SCHEMBL156388 0.87 KDM4E (0.80) KDM4EALDH1A1MAPTTP53LMNA
SCHEMBL7150727 0.86 ALDH1A1 (0.58) KDM4EALDH1A1MAPTTP53LMNA
SCHEMBL30335989 0.86 ALDH1A1 (0.58) KDM4EALDH1A1MAPTTP53LMNA
SCHEMBL29941297 0.85 KDM4E (0.57) KDM4EALDH1A1MAPTTP53LMNA
SCHEMBL7725113 0.85 KDM4E (0.57) KDM4EALDH1A1MAPTTP53LMNA
SCHEMBL24740979 0.84 MAPT (0.52) KDM4EALDH1A1MAPTTP53LMNA
SCHEMBL27958230 0.84 KDM4E (0.57) KDM4EALDH1A1MAPTTP53LMNA
SCHEMBL25345985 0.84 ENPP2 (0.60) KDM4EALDH1A1MAPTTP53LMNA
Syringol SCHEMBL6049240 0.84 KDM4E (0.76) KDM4EALDH1A1MAPTTP53LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11519011-B2 Conversion of lignin into bioplastics and lipid fuels THE TEXAS A&M UNIVERSITY SYSTEM (US) 2022-12-06 US disclosed
WO-2012113371-A1 DETECTION OF DIMERIC CATECHOLAMINE METABOLITES AS INDICATORS OF NEURODEGENERATIVE DISEASES Thanares GmbH (DE) 2012-08-30 WO disclosed
US-6025503-A REACTING OPTICALLY ACTIVE(OR RACEMIC) TITANIUM ALKOXIDE COMPLEXES WITH CHIRAL ACTIVATORS(ESPECIALLY DIOLS) YIELDS NEW TITANIUM COMPLEXES WHICH ARE ENANTIO-SELECTIVE IN C-C BOND FORMING REACTIONS TAKASAGO INTERNATIONAL CORPORATION (JP) 2000-02-15 US disclosed