SCHEMBL7948778

SCHEMBL7948778

CC(=O)Oc1cc(-c2oc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3c(=O)c2OCc2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.60
ADORA3 P0DMS8 4/20 0.57
ACE2 Q9BYF1 2/20 0.52
ELANE P08246 4/20 0.51
PLG P00747 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
Benzquercin SCHEMBL1057326 0.90 PPARG (0.66) PPARGADORA3ACE2ELANEPLG
SCHEMBL16160543 0.87 PPARG (0.58) PPARGADORA3ACE2ELANEPLG
SCHEMBL21621475 0.87 ADORA3 (0.55) PPARGADORA3ACE2ELANEPLG
SCHEMBL31236659 0.87 ADORA3 (0.69) PPARGADORA3ACE2ELANEPLG
SCHEMBL20630735 0.87 ADORA3 (0.69) PPARGADORA3ACE2ELANEPLG
SCHEMBL7940149 0.85 PPARG (0.62) PPARGADORA3ACE2ELANEPLG
SCHEMBL1144343 0.85 ACE2 (0.62) PPARGADORA3ACE2PLG
SCHEMBL1421560 0.84 ACE2 (0.69) PPARGADORA3ACE2ELANEPLG
SCHEMBL20630746 0.84 ACE2 (0.55) PPARGADORA3ACE2ELANEPLG
SCHEMBL7948797 0.84 PPARG (0.51) PPARGADORA3ACE2ELANEPLG

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-6258840-B1 ANTITUMOR AGENTS, ANTIINFLAMMATORY AGENTS, ENZYME INHIBITORS OF KINASES COBRA THERAPEUTICS LIMITED (GB) 2001-07-10 US disclosed
EP-0912541-A1 ANALOGUES OR DERIVATIVES OF QUERCETIN (PRODRUGS) Cobra Therapeutics Limited (GB) 1999-05-06 EP disclosed
WO-1997049693-A1 ANALOGUES OR DERIVATIVES OF QUERCETIN (PRODRUGS) COBRA THERAPEUTICS LIMITED (GB) 1997-12-31 WO disclosed