SCHEMBL8188784

SCHEMBL8188784

CC(C)(C)C(=O)Nc1c(F)cc(F)cc1Br

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KMT2A Q03164 4/20 0.51
MAPT P10636 2/20 0.51
HTT P42858 2/20 0.50
HPGD P15428 2/20 0.46
MEN1 O00255 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
NPSR1 Q6W5P4 2/20 0.43
HSD17B10 Q99714 2/20 0.43
THRB P10828 1/20 0.43
ALOX15 P16050 1/20 0.43
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL14590338 0.81 HTT (0.47) ALDH1A1MAPTHTTL3MBTL1NPSR1
SCHEMBL6036195 0.81 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KMT2AMAPTHTT
SCHEMBL8280454 0.80 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KMT2AMAPTHTT
SCHEMBL5793592 0.79 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KMT2AMAPTHTT
SCHEMBL28673574 0.78 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KMT2AMAPTHTT
SCHEMBL2971730 0.77 ALDH1A1 (0.44) ALDH1A1KMT2AHTTL3MBTL1CA12
SCHEMBL29656890 0.77 ALDH1A1 (0.44) ALDH1A1KMT2AHTTL3MBTL1CA12
SCHEMBL8173414 0.76 HTT (0.38) ALDH1A1SMN1; SMN2MAPTHTTL3MBTL1
SCHEMBL5342999 0.75 HTT (0.54) ALDH1A1SMN1; SMN2MAPTHTTHPGD
SCHEMBL23317645 0.75 HTT (0.57) ALDH1A1SMN1; SMN2MAPTHTTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6043284-A ACYL COENZYME A: CHOLESTEROL ACYLTRANSFERASE (ACAT) INHIBITORS GLAXO WELLCOME INC. (US) 2000-03-28 US disclosed
US-5776951-A ANTICHOLESTEROL AGENT GLAXO WELLCOME INC. (US) 1998-07-07 US disclosed
EP-0706508-A1 ANTI-ATHEROSCLEROTIC DIARYL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1996-04-17 EP disclosed
WO-1995001326-A1 ANTI-ATHEROSCLEROTIC DIARYL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1995-01-12 WO disclosed