SCHEMBL16672467

SCHEMBL16672467

CC(C)CC(C)(C)C(=O)OC(C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.47
FFAR1 O14842 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
OPRM1 P35372 3/20 0.37
HTT P42858 1/20 0.37
RIPK1 Q13546 1/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL682792 0.85 HCAR2 (0.49) HCAR2FFAR1ALDH1A1TP53HSD17B10
SCHEMBL16672950 0.84 HCAR2 (0.45) HCAR2FFAR1ALDH1A1TP53HSD17B10
SCHEMBL24643328 0.84 HCAR2 (0.47) HCAR2FFAR1ALDH1A1TP53HSD17B10
SCHEMBL2609246 0.81 HCAR2 (0.54) HCAR2FFAR1ALDH1A1TP53HSD17B10
SCHEMBL585750 0.81 HCAR2 (0.54) HCAR2FFAR1ALDH1A1TP53HSD17B10
SCHEMBL16672981 0.80 HCAR2 (0.50) HCAR2FFAR1ALDH1A1TP53HSD17B10
SCHEMBL16672701 0.78 HCAR2 (0.51) HCAR2FFAR1ALDH1A1TP53HSD17B10
SCHEMBL16713311 0.78 HCAR2 (0.51) HCAR2FFAR1ALDH1A1TP53HSD17B10
SCHEMBL16865921 0.78 HCAR2 (0.42) HCAR2FFAR1ALDH1A1TP53HSD17B10
SCHEMBL2740605 0.77 PTGS2 (0.46) HCAR2FFAR1GAASMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2869389-B1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTIC SOLUTION CELL USING SAME MITSUBISHI CHEM CORP (JP) 2019-11-13 EP disclosed
US-10320030-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2019-06-11 US disclosed
US-20150140448-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2015-05-21 US disclosed
EP-2869389-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTIC SOLUTION CELL USING SAME Mitsubishi Chemical Corporation (JP) 2015-05-06 EP disclosed