SCHEMBL4570314

SCHEMBL4570314

O=C(OCC1CCCCC1)c1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.49
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
ADRB3 P13945 1/20 0.48
METAP2 P50579 1/20 0.47
METAP1 P53582 1/20 0.47
DRD3 P35462 1/20 0.47
EPHX1 P07099 2/20 0.47
GABBR2 O75899 1/20 0.47
GABBR1 Q9UBS5 1/20 0.47
PARP15 Q460N3 2/20 0.47
PARP10 Q53GL7 2/20 0.47
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
FAAH O00519 1/20 0.44
JMJD6 Q6NYC1 1/20 0.44

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
SCHEMBL4570312 0.93 HRH3 (0.52) HRH3ADRB2ADRB1ADRB3DRD3
SCHEMBL11843631 0.93 HRH3 (0.52) HRH3ADRB2ADRB1ADRB3DRD3
SCHEMBL3468807 0.83 PARP15 (0.54) PARP15PARP10DRD2DRD4JMJD6
SCHEMBL16425307 0.83 KDM4E (0.48) HRH3ADRB2ADRB1ADRB3DRD3
SCHEMBL7452740 0.82 CARM1 (0.57) DRD2DRD4
SCHEMBL9005573 0.82 CARM1 (0.57) DRD2DRD4
SCHEMBL21688651 0.81 ADRB2 (0.47) HRH3ADRB2ADRB1ADRB3DRD3
SCHEMBL9326776 0.81 JMJD6 (0.45) HRH3DRD3PARP15PARP10DRD2
SCHEMBL9326772 0.81 JMJD6 (0.45) HRH3DRD3PARP15PARP10DRD2
SCHEMBL22005207 0.80 CARM1 (0.58) DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-9051116-B2 Container and composition for enhanced gas barrier properties THE COCA-COLA COMPANY (US) 2015-06-09 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-20140212611-A1 CONTAINER AND COMPOSITION FOR ENHANCED GAS BARRIER PROPERTIES THE COCA-COLA COMPANY (US) 2014-07-31 US disclosed
US-20140212611-A1 CONTAINER AND COMPOSITION FOR ENHANCED GAS BARRIER PROPERTIES THE COCA-COLA COMPANY (US) 2014-07-31 US disclosed
US-20140154446-A1 Pet Container and Compositions Having Enhanced Mechanical Properties and Gas Barrier Properties THE COCA-COLA COMPANY (US) 2014-06-05 US disclosed
US-20140154446-A1 Pet Container and Compositions Having Enhanced Mechanical Properties and Gas Barrier Properties THE COCA-COLA COMPANY (US) 2014-06-05 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-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