SCHEMBL28008288

SCHEMBL28008288

CCCC(CC)C(=O)Oc1ccccc1CC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
ALDH1A1 P00352 3/20 0.44
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 1/20 0.39
XBP1 P17861 1/20 0.39
ATM Q13315 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CA2 P00918 2/20 0.38
CA1 P00915 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
EPHX2 P34913 2/20 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
SCHEMBL77727 0.88 THRA (0.42) TSHRALDH1A1THRATHRBNPSR1
SCHEMBL16672991 0.84 TSHR (0.48) TSHRALDH1A1NPSR1L3MBTL1GAA
SCHEMBL15548894 0.83 SMN1; SMN2 (0.46) TSHRALDH1A1NPSR1TAS1R3TAS1R1
SCHEMBL16672613 0.83 L3MBTL1 (0.49) TSHRALDH1A1NPSR1L3MBTL1GAA
SCHEMBL17961061 0.82 TSHR (0.53) TSHRALDH1A1THRATHRBNPSR1
SCHEMBL17938465 0.81 CA2 (0.56) TSHRALDH1A1NPSR1L3MBTL1GAA
SCHEMBL16672594 0.81 PPARG (0.47) TSHRALDH1A1NPSR1L3MBTL1GAA
SCHEMBL28818302 0.81 ATM (0.51) TSHRALDH1A1NPSR1L3MBTL1GAA
SCHEMBL4666170 0.80 ALOX15 (0.47) TSHRALDH1A1THRATHRBNPSR1
SCHEMBL16756192 0.79 ALDH1A1 (0.46) TSHRALDH1A1L3MBTL1MAPTKDM4E

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