SCHEMBL856059

SCHEMBL856059

COC(=O)c1ccc(OC)c(O)c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.59
KDM4E B2RXH2 6/20 0.59
MAPK1 P28482 3/20 0.59
HSD17B10 Q99714 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
ALOX15 P16050 2/20 0.59
LMNA P02545 2/20 0.59
ALDH1A1 P00352 1/20 0.59
CYP3A4 P08684 1/20 0.59
HPGD P15428 1/20 0.59
RECQL P46063 1/20 0.59
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
PDK2 Q15119 1/20 0.48
PDK4 Q16654 1/20 0.48
TSHR P16473 2/20 0.47

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
SCHEMBL3173889 0.87 CA12 (0.59) MAPTKDM4EHSD17B10TDP1LMNA
SCHEMBL19615906 0.85 MAPT (0.47) MAPTKDM4EMAPK1HSD17B10TDP1
SCHEMBL1434290 0.85 MAPT (0.71) MAPTKDM4EMAPK1HSD17B10TDP1
SCHEMBL10542808 0.83 MAPT (0.46) MAPTKDM4EMAPK1HSD17B10TDP1
SCHEMBL21828895 0.83 MAPT (0.50) MAPTKDM4EMAPK1HSD17B10TDP1
SCHEMBL1553565 0.83 KDM4E (0.51) MAPTKDM4EMAPK1HSD17B10TDP1
SCHEMBL13959837 0.83 GAA (0.46) MAPTKDM4EMAPK1HSD17B10TDP1
SCHEMBL1560968 0.83 KDM4E (0.47) MAPTKDM4EMAPK1HSD17B10TDP1
Methyl 2-Hydroxy-3-Methoxybenzoate SCHEMBL1339162 0.82 TAS1R3 (0.56) MAPTKDM4EMAPK1HSD17B10ALOX15
SCHEMBL3189109 0.82 MAPT (0.72) MAPTKDM4EMAPK1HSD17B10TDP1

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109776551-B Process for preparing dioxanoquinazoline derivatives 北京工业大学 2020-11-03 CN claimed
CN-109776551-A Dioxanes and quinazoline derivant preparation method 北京工业大学 2019-05-21 CN claimed
CN-109776551-B Process for preparing dioxanoquinazoline derivatives 北京工业大学 2020-11-03 CN disclosed
CN-109776551-A Dioxanes and quinazoline derivant preparation method 北京工业大学 2019-05-21 CN disclosed
EP-2114951-B9 NOVEL PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2015-09-02 EP disclosed
EP-2114951-B9 NOVEL PHOSPHODIESTERASE INHIBITORS LEO PHARMA AS (DK) 2015-09-02 EP disclosed
CN-101631792-B Novel phosphodiesterase inhibitors LEO PHARMA AS DK 2013-05-01 CN disclosed
US-8338431-B2 Phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2012-12-25 US disclosed
US-8338431-B2 Phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2012-12-25 US disclosed
US-8338431-B2 Phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2012-12-25 US disclosed
US-8334304-B2 Aminosulfonyl substituted 4-(aminomethyl)-piperidine benzamides as 5HT4-antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2012-12-18 US disclosed
EP-0837677-B1 BROMINATED HEXAHYDROXYBIPHENYL DERIVATIVES UNIV NORTH CAROLINA (US) 2006-03-29 EP disclosed
EP-1638959-A1 5HT -4 -ANTAGONISTIC 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-29 EP disclosed
WO-2005003122-A1 5HT4-ANTAGONISTIC 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-13 WO disclosed
WO-2005003121-A1 HYDROXYCARBONYLPHENYL SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4-ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-13 WO disclosed
WO-2005000837-A1 AMINOSULFONYL SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4-ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-06 WO disclosed
EP-0837677-A4 BROMINATED HEXAHYDROXYBIPHENYL DERIVATIVES UNIV NORTH CAROLINA (US) 1999-12-15 EP disclosed
EP-0837677-A1 BROMINATED HEXAHYDROXYBIPHENYL DERIVATIVES UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1998-04-29 EP disclosed
US-5612341-A BIS-BENZODIOXOLE COMPOUNDS, TREATMENT OF HIV, VIRICIDES BIOTECH RESEARCH LABORATORIES (US) 1997-03-18 US disclosed
WO-1996040111-A1 BROMINATED HEXAHYDROXYBIPHENYL DERIVATIVES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-12-19 WO disclosed