SCHEMBL28008658

SCHEMBL28008658

CCc1ccccc1OC(=O)C(CC)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 1/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
TSHR P16473 2/20 0.37
HSD17B10 Q99714 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
HPGD P15428 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL4666170 0.84 ALOX15 (0.47) L3MBTL1MAPTNPSR1ALDH1A1ALOX15
SCHEMBL16672938 0.84 KMT2A (0.46) L3MBTL1MAPTALDH1A1TSHRHSD17B10
SCHEMBL17459128 0.83 L3MBTL1 (0.44) L3MBTL1MAPTNPSR1ALDH1A1ALOX15
SCHEMBL16672863 0.83 L3MBTL1 (0.50) L3MBTL1MAPTNPSR1ALDH1A1ALOX15
SCHEMBL28008256 0.80 TDP1 (0.48) L3MBTL1MAPTNPSR1ALDH1A1ALOX15
SCHEMBL16673047 0.79 PPARG (0.42) L3MBTL1ALDH1A1ALOX15
Hydrochloric Acid SCHEMBL29712425 0.79 L3MBTL1 (0.41) L3MBTL1MAPTNPSR1ALDH1A1THRA
SCHEMBL2290951 0.78 ATM (0.51) L3MBTL1MAPTALDH1A1TSHRKMT2A
SCHEMBL7854578 0.76 TDP1 (0.48) L3MBTL1MAPTNPSR1ALDH1A1TSHR
SCHEMBL28008288 0.76 TSHR (0.45) L3MBTL1MAPTNPSR1ALDH1A1THRA

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