SCHEMBL11236732

SCHEMBL11236732

CCOC(=O)Cc1ccc(NCc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.61
FFAR4 Q5NUL3 1/20 0.61
MAPT P10636 2/20 0.58
THRB P10828 1/20 0.57
HTT P42858 2/20 0.56
ALDH1A1 P00352 2/20 0.56
POLB P06746 1/20 0.52
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
IDH1 O75874 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL11233308 0.89 FFAR1 (0.65) FFAR1FFAR4MAPTTHRBHTT
SCHEMBL11249779 0.89 FFAR1 (0.71) FFAR1FFAR4THRBHTTALDH1A1
SCHEMBL11246781 0.86 FFAR1 (0.60) FFAR1FFAR4MAPTTHRBALDH1A1
SCHEMBL701131 0.85 ALDH1A1 (0.61) MAPTTHRBHTTALDH1A1POLB
SCHEMBL11240957 0.84 FFAR1 (0.67) FFAR1FFAR4MAPTTHRBHTT
SCHEMBL29129866 0.84 MAPT (0.64) FFAR1MAPTHTTALDH1A1L3MBTL1
SCHEMBL9593360 0.83 ALDH1A1 (0.62) MAPTTHRBHTTALDH1A1POLB
SCHEMBL29129887 0.82 MAPT (0.73) FFAR1MAPTHTTPOLBL3MBTL1
SCHEMBL27529186 0.81 MAPT (0.75) FFAR1FFAR4MAPTHTTALDH1A1
SCHEMBL25190960 0.80 NPSR1 (0.67) FFAR1FFAR4MAPTTHRBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4362892-A ARALKYLANILINES, ANTICHOLESTEROL AGENTS BEECHAM GROUP LIMITED (GB) 1982-12-07 US disclosed
US-4206145-A ALKANOYL-SUBSTITUTED ARALKYLAMINES BEECHAM GROUP LIMITED (GB) 1980-06-03 US disclosed