SCHEMBL4570306

SCHEMBL4570306

CCC(CC(C)c1ccccc1)c1ccc2c(c1)C(=O)OC2=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 0.42
ALOX15 P16050 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TAAR1 Q96RJ0 3/20 0.35
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C9 P11712 1/20 0.33
AOC3 Q16853 1/20 0.33
CCR5 P51681 1/20 0.32
MCL1 Q07820 1/20 0.32

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
SCHEMBL13398112 0.81 HMGCR (0.32)
SCHEMBL13397789 0.80 HDAC4 (0.47) TRPA1ALOX15TDP1HDAC4HDAC2
SCHEMBL6285816 0.78 TRPA1 (0.58) TRPA1TAAR1AOC3CCR5
SCHEMBL15511869 0.77 TDP1 (0.45) ALOX15TDP1ALDH1A1TSHRCYP2C9
SCHEMBL4958265 0.75 TDP1 (0.41) ALOX15TDP1TAAR1ALDH1A1MAPK1
SCHEMBL18372349 0.75 TRPA1 (0.49) TRPA1ALOX15TDP1HDAC4HDAC2
Benzene SCHEMBL4958274 0.74 LMNA (0.50) TRPA1ALOX15TDP1HDAC4HDAC2
SCHEMBL18062416 0.74 TRPA1 (0.55) TRPA1TAAR1AOC3CCR5
SCHEMBL18372357 0.74 TDP1 (0.49) TRPA1TDP1ALDH1A1
SCHEMBL11436231 0.72 LMNA (0.52) TRPA1ALOX15TDP1HDAC4HDAC2

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