SCHEMBL4650695

SCHEMBL4650695

O=c1c(OC2O[C@H]([C@H](O)[C@H](O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.70
GAA P10253 6/20 0.70
MAPT P10636 6/20 0.70
AKR1B1 P15121 5/20 0.70
P4HB P07237 5/20 0.70
EPHX2 P34913 5/20 0.70
POLB P06746 5/20 0.70
MAOA P21397 4/20 0.70
XDH P47989 4/20 0.70
SLCO2B1 O94956 3/20 0.70
CA12 O43570 2/20 0.70
CA2 P00918 2/20 0.70
CA4 P22748 2/20 0.70
CA7 P43166 2/20 0.70
ALPI P09923 2/20 0.70
LMNA P02545 2/20 0.70
ADRA2C P18825 2/20 0.70
KDM1A O60341 2/20 0.70
HMGB1 P09429 2/20 0.70
MAPK1 P28482 2/20 0.70

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
SCHEMBL8374228 0.89 KDM4E (0.71) KDM4EGAAMAPTAKR1B1P4HB
SCHEMBL925803 0.89 KDM4E (0.71) KDM4EGAAMAPTAKR1B1P4HB
SCHEMBL24608 0.89 AKR1B1 (0.74) KDM4EGAAMAPTAKR1B1P4HB
SCHEMBL21408655 0.89 AKR1B1 (0.74) KDM4EGAAMAPTAKR1B1P4HB
SCHEMBL30772268 0.89 AKR1B1 (0.74) KDM4EGAAMAPTAKR1B1P4HB
Water SCHEMBL21836718 0.88 AKR1B1 (0.73) KDM4EGAAMAPTAKR1B1P4HB
Quercetin SCHEMBL5953872 0.86 AKR1B1 (0.70) KDM4EGAAMAPTAKR1B1P4HB
Acetone SCHEMBL11411008 0.86 AKR1B1 (0.70) KDM4EGAAMAPTAKR1B1P4HB
Quercitrin SCHEMBL17628743 0.85 P4HB (0.81) KDM4EGAAMAPTAKR1B1P4HB
SCHEMBL7601750 0.84 KDM4E (0.73) KDM4EGAAMAPTAKR1B1P4HB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6872771-B1 Tire with rubber containing flavone THE GOODYEAR TIRE & RUBBER COMPANY (US) 2005-03-29 US claimed
JP-6088063-A None JP disclosed
CN-114377060-A Application of guarana leaf extract, refreshing effervescent tablet and preparation method 北京中医药大学 2022-04-22 CN disclosed
EP-2730431-B1 Rubber composition and tire with rubber containing flavone GOODYEAR TIRE & RUBBER (US) 2017-06-28 EP disclosed
EP-2730431-A1 Rubber composition and tire with rubber containing flavone The Goodyear Tire & Rubber Company (US) 2014-05-14 EP disclosed
EP-1391327-B1 Tire with rubber containing flavone GOODYEAR TIRE & RUBBER (US) 2008-09-03 EP disclosed
US-6872771-B1 Tire with rubber containing flavone THE GOODYEAR TIRE & RUBBER COMPANY (US) 2005-03-29 US disclosed
EP-1391327-A1 Tire with rubber containing flavone THE GOODYEAR TIRE & RUBBER COMPANY (US) 2004-02-25 EP disclosed
JP-H0688063-A ULTRAVIOLET PROTECTIVE NATL FOOD RES INST 1994-03-29 JP disclosed