SCHEMBL4570321

SCHEMBL4570321

O=C(CC(=O)OCOc1ccccc1)OCOc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.54
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TSHR P16473 1/20 0.49
MTNR1A P48039 4/20 0.47
MTNR1B P49286 4/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ALPL P05186 1/20 0.47
ALPI P09923 1/20 0.47
ALPG P10696 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
THRB P10828 1/20 0.46

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
SCHEMBL27840674 0.88 MTNR1A (0.50) ALOX15RAB9ANPC1SMN1; SMN2TSHR
SCHEMBL16134247 0.85 RAB9A (0.66) RAB9ANPC1SMN1; SMN2TSHRMTNR1A
SCHEMBL27991416 0.85 ALOX15 (0.52) ALOX15RAB9ANPC1SMN1; SMN2TSHR
SCHEMBL29140273 0.84 ALOX15 (0.56) ALOX15RAB9ANPC1SMN1; SMN2TSHR
SCHEMBL4965677 0.84 ALOX15 (0.56) ALOX15RAB9ANPC1SMN1; SMN2TSHR
Benzene SCHEMBL7593686 0.84 ALOX15 (0.56) ALOX15RAB9ANPC1SMN1; SMN2TSHR
SCHEMBL4570320 0.83 ALOX15 (0.50) ALOX15SMN1; SMN2KMT2AMEN1ALPL
SCHEMBL27967311 0.83 ALOX15 (0.50) ALOX15RAB9ANPC1SMN1; SMN2TSHR
SCHEMBL27632842 0.83 ALOX15 (0.50) ALOX15RAB9ANPC1SMN1; SMN2TSHR
SCHEMBL805314 0.83 HTT (0.51) ALOX15RAB9AMTNR1AMTNR1BPKM

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