SCHEMBL17866529

SCHEMBL17866529

CCCCC(=O)OCC(COC(=O)CCCC)OC(=O)C(C)CC

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.63
LMNA P02545 1/20 0.63
LPAR3 Q9UBY5 7/20 0.55
LPAR1 Q92633 4/20 0.55
ENPP2 Q13822 4/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CYP3A4 P08684 1/20 0.54
TSHR P16473 1/20 0.54
ATM Q13315 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
PRKCA P17252 3/20 0.54
PRKCE Q02156 1/20 0.54
PRKCQ Q04759 1/20 0.54
PRKCD Q05655 1/20 0.54
LPAR2 Q9HBW0 2/20 0.54
MAPT P10636 1/20 0.51

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
SCHEMBL17539101 0.94 ALDH1A1 (0.73) ALDH1A1LMNALPAR3LPAR1ENPP2
SCHEMBL17866527 0.90 ALDH1A1 (0.69) ALDH1A1LMNALPAR3LPAR1ENPP2
SCHEMBL17866530 0.86 ALDH1A1 (0.67) ALDH1A1LMNALPAR3LPAR1ENPP2
SCHEMBL3038534 0.84 ALDH1A1 (0.86) ALDH1A1LMNALPAR3LPAR1ENPP2
SCHEMBL26566670 0.83 PRKCA (0.64) ALDH1A1LMNALPAR3LPAR1ENPP2
SCHEMBL26263598 0.83 ALDH1A1 (0.71) ALDH1A1LMNALPAR3LPAR1ENPP2
SCHEMBL4453297 0.83 ALDH1A1 (0.71) ALDH1A1LMNALPAR3LPAR1ENPP2
SCHEMBL13317370 0.82 ALDH1A1 (0.43) ALDH1A1LMNALPAR3LPAR1ENPP2
SCHEMBL3915038 0.81 MAPT (0.53) ALDH1A1LMNACYP3A4TSHRATM
SCHEMBL17866509 0.81 ALDH1A1 (0.80) ALDH1A1LMNALPAR3LPAR1ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9972866-B2 Electrolyte for lithium secondary battery and lithium secondary battery employing the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-05-15 US claimed
US-20160190649-A1 ELECTROLYTE FOR LITHIUM SECONDARY BATTERY AND LITHIUM SECONDARY BATTERY EMPLOYING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-06-30 US claimed
US-9972866-B2 Electrolyte for lithium secondary battery and lithium secondary battery employing the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-05-15 US disclosed