SCHEMBL5032824

SCHEMBL5032824

COc1cc(OC)c2oc(-c3ccc(OC)c(OC)c3)cc(=O)c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 4/20 0.68
▸ CYP1A2 P05177 4/20 0.68
▸ CYP1B1 Q16678 4/20 0.68
▸ ABCB1 P08183 5/20 0.66
▸ TERT O14746 2/20 0.62
▸ ABCG2 Q9UNQ0 3/20 0.60
▸ ABCC1 P33527 1/20 0.60
▸ ALDH1A1 P00352 3/20 0.60
▸ CYP3A4 P08684 3/20 0.60
▸ MAPT P10636 3/20 0.60
▸ MAPK1 P28482 3/20 0.60
▸ MEN1 O00255 3/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ KDM4E B2RXH2 2/20 0.60
▸ HPGD P15428 2/20 0.60
▸ HSD17B10 Q99714 2/20 0.60
▸ GLA P06280 1/20 0.60
▸ THRB P10828 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ TUBB4A P04350 1/20 0.57

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
SCHEMBL16894651 0.81 TUBB4A (0.76) CYP1A1CYP1A2CYP1B1ABCB1TERT
SCHEMBL988001 0.80 TERT (0.77) CYP1A1CYP1A2CYP1B1ABCB1TERT
7,3',4'-Trimethoxyflavone SCHEMBL987112 0.80 ABCB1 (1.00) ABCB1ABCG2ALDH1A1CYP3A4MAPT
SCHEMBL29612043 0.80 TERT (0.77) CYP1A1CYP1A2CYP1B1ABCB1TERT
Tetramethylluteolin SCHEMBL29725288 0.80 ABCB1 (0.80) CYP1A1CYP1A2CYP1B1ABCB1ABCG2
Tetramethylluteolin SCHEMBL1421511 0.80 ABCB1 (0.80) CYP1A1CYP1A2CYP1B1ABCB1ABCG2
Tetramethylluteolin SCHEMBL29572571 0.80 ABCB1 (0.80) CYP1A1CYP1A2CYP1B1ABCB1ABCG2
SCHEMBL6801535 0.78 ABCB1 (0.65) CYP1A1CYP1A2CYP1B1ABCB1TERT
SCHEMBL1778286 0.76 TERT (1.00) CYP1A1CYP1A2CYP1B1ABCB1TERT
SCHEMBL8934531 0.75 ABCB1 (0.67) CYP1A1CYP1A2CYP1B1ABCB1TERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928819-A1 A SINGLE POT PROCESS FOR THE PREPARATION OF DIAZONAPHTHOQUINONESULFONYL ESTER COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2008-06-11 — — EP claimed
WO-2007026374-A1 A SINGLE POT PROCESS FOR THE PREPARATION OF DIAZONAPHTHOQUINONESULFONYL ESTER COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-03-08 — — WO claimed
EP-1928819-A1 A SINGLE POT PROCESS FOR THE PREPARATION OF DIAZONAPHTHOQUINONESULFONYL ESTER COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2008-06-11 — — EP disclosed
EP-1883300-A2 COMPOSITIONS AND METHODS FOR OPTIMIZING EXERCISE RECOVERY Rutgers, The State University of New Jersey (US) 2008-02-06 — — EP disclosed
WO-2007026374-A1 A SINGLE POT PROCESS FOR THE PREPARATION OF DIAZONAPHTHOQUINONESULFONYL ESTER COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-03-08 — — WO disclosed
WO-2006127996-A2 COMPOSITIONS AND METHODS FOR OPTIMIZING EXERCISE RECOVERY RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2006-11-30 — — WO disclosed
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