SCHEMBL4570310

SCHEMBL4570310

O=C(OCCCOC(=O)c1ccc2ccccc2c1)c1ccc2ccccc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.66
DRD3 P35462 1/20 0.66
TDP1 Q9NUW8 3/20 0.56
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55
KDM4E B2RXH2 4/20 0.53
MAPT P10636 3/20 0.53
HTT P42858 1/20 0.53
ADRB2 P07550 1/20 0.52
ADRB1 P08588 1/20 0.52
ADRB3 P13945 1/20 0.52
PTPN1 P18031 1/20 0.51
SERPINE1 P05121 1/20 0.49
HPGD P15428 4/20 0.48
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 2/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 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
SCHEMBL27691343 0.93 HRH3 (0.64) HRH3DRD3TDP1CES2CES1
SCHEMBL11527051 0.90 HRH3 (0.64) HRH3DRD3TDP1HPGDSMN1; SMN2
SCHEMBL16606233 0.90 HRH3 (0.60) HRH3DRD3TDP1CES2CES1
SCHEMBL1192991 0.89 HRH3 (0.59) HRH3DRD3TDP1CES2CES1
SCHEMBL16606225 0.89 HRH3 (0.59) HRH3DRD3TDP1CES2CES1
SCHEMBL27760645 0.89 HRH3 (0.59) HRH3DRD3TDP1CES2CES1
SCHEMBL16606227 0.89 HRH3 (0.59) HRH3DRD3TDP1CES2CES1
SCHEMBL16774753 0.89 HRH3 (0.59) HRH3DRD3TDP1CES2CES1
SCHEMBL19360465 0.89 HRH3 (0.59) HRH3DRD3TDP1CES2CES1
SCHEMBL16606218 0.88 HRH3 (0.59) HRH3DRD3TDP1CES2CES1

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
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-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-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-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-20100143547-A1 Pet Container And Compositions Having Enhanced Mechanical Properties And Gas Barrier Properties COCA-COLA COMPANY (US) 2010-06-10 US disclosed