SCHEMBL28818302

SCHEMBL28818302

CCCC(CC)C(=O)Oc1ccccc1C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.51
GAA P10253 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
XBP1 P17861 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TDP1 Q9NUW8 1/20 0.47
BCHE P06276 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
RBP4 P02753 2/20 0.40
TSHR P16473 2/20 0.40
NAMPT P43490 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MAPT P10636 1/20 0.37
EPHX2 P34913 1/20 0.37
PPARG P37231 1/20 0.37

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
SCHEMBL28008288 0.81 TSHR (0.45) ATMGAANPSR1XBP1L3MBTL1
SCHEMBL16672991 0.81 TSHR (0.48) ATMGAANPSR1XBP1L3MBTL1
SCHEMBL17938465 0.80 CA2 (0.56) ATMGAANPSR1XBP1L3MBTL1
SCHEMBL11419890 0.80 L3MBTL1 (0.49) ATMGAANPSR1XBP1L3MBTL1
SCHEMBL16672594 0.80 PPARG (0.47) ATMGAANPSR1XBP1L3MBTL1
SCHEMBL15548894 0.80 SMN1; SMN2 (0.46) NPSR1TDP1KDM4EALDH1A1TSHR
SCHEMBL9453789 0.80 GAA (0.51) ATMGAANPSR1XBP1L3MBTL1
SCHEMBL16672613 0.79 L3MBTL1 (0.49) ATMGAANPSR1XBP1L3MBTL1
SCHEMBL28008256 0.78 TDP1 (0.48) ATMGAANPSR1XBP1L3MBTL1
SCHEMBL28194956 0.78 PPARG (0.42) ATMGAANPSR1XBP1L3MBTL1

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