SCHEMBL4570312

SCHEMBL4570312

O=C(OCC1CCC(COC(=O)c2ccc3ccccc3c2)CC1)c1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.52
DRD3 P35462 1/20 0.50
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
ADRB3 P13945 1/20 0.48
DRD2 P14416 2/20 0.47
DRD4 P21917 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 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
SCHEMBL11843631 1.00 HRH3 (0.52) HRH3DRD3CES2CES1ADRB2
SCHEMBL4570314 0.93 HRH3 (0.49) HRH3DRD3CES2CES1ADRB2
SCHEMBL16425307 0.89 KDM4E (0.48) HRH3DRD3CES2CES1ADRB2
SCHEMBL9326772 0.88 JMJD6 (0.45) HRH3DRD3DRD2DRD4JMJD6
SCHEMBL9326776 0.88 JMJD6 (0.45) HRH3DRD3DRD2DRD4JMJD6
SCHEMBL21688651 0.87 ADRB2 (0.47) HRH3DRD3ADRB2ADRB1ADRB3
SCHEMBL10349642 0.82 HRH3 (0.50) HRH3DRD3CES2CES1ADRB2
SCHEMBL11694424 0.80 HRH3 (0.56) HRH3DRD3CES2CES1ADRB2
SCHEMBL8447322 0.80 CARM1 (0.61) DRD2DRD4RAB9AKMT2AMEN1
SCHEMBL532785 0.80 CARM1 (0.61) DRD2DRD4RAB9AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358803-B1 CONTAINER AND COMPOSITION WITH DIESTER GAS BARRIER ENHANCING COMPOUNDS COCA COLA CO (US) 2021-06-30 EP disclosed
EP-2358804-B1 PET CONTAINER AND COMPOSITIONS HAVING ENHANCED MECHANICAL PROPERTIES AND GAS BARRIER PROPERTIES COCA COLA CO (US) 2020-02-05 EP disclosed
US-9464184-B2 Container and composition for enhanced gas barrier properties THE COCA-COLA COMPANY (US) 2016-10-11 US disclosed
US-9464184-B2 Container and composition for enhanced gas barrier properties THE COCA-COLA COMPANY (US) 2016-10-11 US disclosed
US-9359488-B2 Pet container and compositions having enhanced mechanical properties and gas barrier properties and methods THE COCA-COLA COMPANY (US) 2016-06-07 US disclosed
US-9359488-B2 Pet container and compositions having enhanced mechanical properties and gas barrier properties and methods THE COCA-COLA COMPANY (US) 2016-06-07 US disclosed
US-20150232641-A1 CONTAINER AND COMPOSITION FOR ENHANCED GAS BARRIER PROPERTIES THE COCA-COLA COMPANY (US) 2015-08-20 US disclosed
US-20150232641-A1 CONTAINER AND COMPOSITION FOR ENHANCED GAS BARRIER PROPERTIES THE COCA-COLA COMPANY (US) 2015-08-20 US disclosed
US-9051116-B2 Container and composition for enhanced gas barrier properties THE COCA-COLA COMPANY (US) 2015-06-09 US disclosed
US-20150045482-A1 Pet Container and Compositions Having Enhanced Mechanical Properties and Gas Barrier Properties and Methods COCA COLA CO (US) 2015-02-12 US disclosed
US-20120121837-A1 Pet Container and Compositions Having Enhanced Mechanical Properties and Gas Barrier Properties THE COCA-COLA COMPANY (US) 2012-05-17 US disclosed
US-8110265-B2 Pet container and compositions having enhanced mechanical properties and gas barrier properties THE COCA-COLA COMPANY (US) 2012-02-07 US disclosed
US-8110265-B2 Pet container and compositions having enhanced mechanical properties and gas barrier properties THE COCA-COLA COMPANY (US) 2012-02-07 US disclosed
US-20100143546-A1 CONTAINER AND COMPOSITION FOR ENHANCED GAS BARRIER PROPERTIES THE COCA-COLA COMPANY (US) 2010-06-10 US disclosed
US-20100143546-A1 CONTAINER AND COMPOSITION FOR ENHANCED GAS BARRIER PROPERTIES THE COCA-COLA COMPANY (US) 2010-06-10 US disclosed
US-20100143547-A1 Pet Container And Compositions Having Enhanced Mechanical Properties And Gas Barrier Properties COCA-COLA COMPANY (US) 2010-06-10 US disclosed
US-20100143547-A1 Pet Container And Compositions Having Enhanced Mechanical Properties And Gas Barrier Properties COCA-COLA COMPANY (US) 2010-06-10 US disclosed
US-20100028791-A1 Electrophotographic Photoconductor and a Method of Manufacturing the Same FUJI ELECTRIC DEVICE TECHNOLOGY CO.,LTD. (JP) 2010-02-04 US disclosed
US-20100028791-A1 Electrophotographic Photoconductor and a Method of Manufacturing the Same FUJI ELECTRIC DEVICE TECHNOLOGY CO.,LTD. (JP) 2010-02-04 US disclosed
WO-2007117029-A2 ELECTROPHOTOGRAPHIC PHOTOCONDUCTOR AND A METHOD OF MANUFACTURING THE SAME FUJI ELECTRIC DEVICE TECHNOLOGY CO., LTD. (JP) 2007-10-18 WO disclosed