SCHEMBL1664667

SCHEMBL1664667

CC(=O)Oc1cc(OC(C)=O)c2c(=O)c(OC(C)=O)c(-c3ccccc3)oc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 1.00
KDM4E B2RXH2 9/20 0.53
MAPT P10636 6/20 0.53
ALDH1A1 P00352 5/20 0.53
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
PPARG P37231 1/20 0.53
HSD17B10 Q99714 6/20 0.52
CASP1 P29466 3/20 0.52
CASP7 P55210 3/20 0.52
GLA P06280 3/20 0.52
GAA P10253 2/20 0.52
TSHR P16473 1/20 0.52
CYP3A4 P08684 4/20 0.52
MAPK1 P28482 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ALOX12 P18054 1/20 0.52
TP53 P04637 2/20 0.51
LMNA P02545 1/20 0.51

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
Kaempferol Tetraacetate SCHEMBL10379364 0.92 ADORA3 (0.84) ADORA3KDM4EMAPTALDH1A1RAB9A
SCHEMBL28410849 0.88 ADORA3 (0.79) ADORA3KDM4EMAPTALDH1A1RAB9A
SCHEMBL15266926 0.88 ADORA3 (0.79) ADORA3KDM4EMAPTALDH1A1RAB9A
SCHEMBL20581611 0.88 ADORA3 (0.78) ADORA3KDM4EMAPTALDH1A1RAB9A
Pentaacetylquercetin SCHEMBL4064499 0.87 ADORA3 (0.77) ADORA3KDM4EMAPTALDH1A1RAB9A
SCHEMBL28377445 0.87 ADORA3 (0.77) ADORA3KDM4EMAPTALDH1A1RAB9A
SCHEMBL28421208 0.85 ADORA3 (0.74) ADORA3KDM4EMAPTALDH1A1RAB9A
SCHEMBL23278846 0.84 ADORA3 (0.72) ADORA3KDM4EMAPTALDH1A1RAB9A
SCHEMBL21621457 0.84 ADORA3 (0.71) ADORA3KDM4EMAPTALDH1A1RAB9A
SCHEMBL21819719 0.84 ADORA3 (0.72) ADORA3KDM4EMAPTALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111285831-A Preparation method of 3, 5-diacetoxy-7-hydroxyflavone 武汉轻工大学 2020-06-16 CN claimed
EP-0885192-B8 DIHYDROPYRIDINE-, PYRIDINE-, BENZOPYRAN- ONE- AND TRIAZOLOQUINAZOLINE DERIVATIVE, THEIR PREPARATION AND THEIR USE AS ADENOSINE RECEPTOR ANTAGONISTS US OF AMERICA REPRESENTED BY THE SECRETARY DEPT OF HEALTH AND HUMAN SERVICES (US) 2012-05-16 EP claimed
EP-0885192-A1 DIHYDROPYRIDINE-, PYRIDINE-, BENZOPYRAN- ONE- AND TRIAZOLOQUINAZOLINE DERIVATIVE, THEIR PREPARATION AND THEIR USE AS ADENOSINE RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 1998-12-23 EP claimed
WO-1997027177-A2 DIHYDROPYRIDINE-, PYRIDINE-, BENZOPYRAN-4-ONE- AND TRIAZOLOQUINAZOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ADENOSINE RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-07-31 WO claimed
CN-111285831-A Preparation method of 3, 5-diacetoxy-7-hydroxyflavone 武汉轻工大学 2020-06-16 CN disclosed
CN-111285831-A Preparation method of 3, 5-diacetoxy-7-hydroxyflavone 武汉轻工大学 2020-06-16 CN disclosed
EP-0885192-B8 DIHYDROPYRIDINE-, PYRIDINE-, BENZOPYRAN- ONE- AND TRIAZOLOQUINAZOLINE DERIVATIVE, THEIR PREPARATION AND THEIR USE AS ADENOSINE RECEPTOR ANTAGONISTS US OF AMERICA REPRESENTED BY THE SECRETARY DEPT OF HEALTH AND HUMAN SERVICES (US) 2012-05-16 EP disclosed
EP-2311806-A2 Dihydropyridine-, pyridine-, benzopyranone- and triazoloquinazoline derivatives, their preparation and their use as adenosine receptor antagonists The United States of America, Represented by the Secretary, Department of Health and Human Services (US) 2011-04-20 EP disclosed
US-6066642-A FOR SELECTIVELY BLOCKING THE A3 ADENOSINE RECEPTOR OF A MAMMAL THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2000-05-23 US disclosed
EP-0885192-A1 DIHYDROPYRIDINE-, PYRIDINE-, BENZOPYRAN- ONE- AND TRIAZOLOQUINAZOLINE DERIVATIVE, THEIR PREPARATION AND THEIR USE AS ADENOSINE RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 1998-12-23 EP disclosed
WO-1997027177-A2 DIHYDROPYRIDINE-, PYRIDINE-, BENZOPYRAN-4-ONE- AND TRIAZOLOQUINAZOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ADENOSINE RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-07-31 WO disclosed