SCHEMBL28008232

SCHEMBL28008232

CCCCc1ccccc1CC(C)(C)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.47
CYP4A11 Q02928 3/20 0.47
ALDH1A1 P00352 1/20 0.43
RECQL P46063 1/20 0.43
MMP8 P22894 1/20 0.43
PPARA Q07869 2/20 0.42
PPARG P37231 1/20 0.42
PIN1 Q13526 1/20 0.41
LMNA P02545 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
TSHR P16473 2/20 0.38
HSD11B1 P28845 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 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
SCHEMBL28008239 0.86 MMP8 (0.48) CYP4F2CYP4A11ALDH1A1RECQLMMP8
SCHEMBL22922053 0.83 CYP4F2 (0.54) CYP4F2CYP4A11ALDH1A1RECQLMMP8
SCHEMBL29422928 0.83 CYP4F2 (0.54) CYP4F2CYP4A11ALDH1A1RECQLMMP8
SCHEMBL17411368 0.82 MMP8 (0.44) CYP4F2CYP4A11ALDH1A1RECQLMMP8
SCHEMBL26018932 0.82 CYP4F2 (0.57) CYP4F2CYP4A11ALDH1A1RECQLMMP8
SCHEMBL12802659 0.79 RIPK1 (0.49) CYP4F2CYP4A11ALDH1A1RECQLMMP8
SCHEMBL28008263 0.79 MMP8 (0.44) CYP4F2CYP4A11ALDH1A1RECQLMMP8
SCHEMBL31001655 0.78 CYP4F2 (0.49) CYP4F2CYP4A11ALDH1A1RECQLMMP8
SCHEMBL29798733 0.78 MEN1 (0.48) ALDH1A1MMP8LMNATSHRCYP1A2
SCHEMBL16672862 0.78 L3MBTL1 (0.49) CYP4F2CYP4A11ALDH1A1RECQLMMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104412441-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEM CORP 2015-03-11 CN disclosed