SCHEMBL7846899

SCHEMBL7846899

CCCCC(=O)C(CCCC)N(C)S(=O)(=O)c1ccc(N(C)C)cc1Cc1ccc(OC)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.38
KEAP1 Q14145 2/20 0.37
NFE2L2 Q16236 2/20 0.37
BMP1 P13497 3/20 0.36
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
MMP2 P08253 2/20 0.34
MMP3 P08254 2/20 0.34
MMP1 P03956 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
CTSK P43235 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
ALOX5 P09917 1/20 0.33
CNR1 P21554 1/20 0.33

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
SCHEMBL7846110 0.76 CNR2 (0.37) CNR2KEAP1NFE2L2BMP1MEN1
SCHEMBL7846527 0.75 CNR2 (0.46) CNR2KEAP1NFE2L2BMP1MEN1
SCHEMBL7846493 0.74 ALDH1A1 (0.38) CNR2MMP9MMP13MEN1KMT2A
SCHEMBL7837755 0.74 CNR2 (0.35) CNR2KEAP1NFE2L2MEN1KMT2A
SCHEMBL7846766 0.73 CNR2 (0.40) CNR2KEAP1NFE2L2BMP1MMP9
SCHEMBL7846307 0.73 PKM (0.39) BMP1MMP9MMP13MEN1KMT2A
SCHEMBL7848583 0.72 ALDH1A1 (0.38) CNR2MMP13MEN1KMT2ALMNA
SCHEMBL7846525 0.71 CNR2 (0.40) CNR2KEAP1NFE2L2MEN1KMT2A
SCHEMBL7837233 0.71 MEN1 (0.35) CNR2BMP1MMP9MMP13MEN1
SCHEMBL7848884 0.71 CNR2 (0.35) CNR2BMP1

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
EP-1155007-A2 1,2-BENZOTHIAZEPINES FOR THE TREATMENT OF HYPERLIPIDEMIC DISEASES G.D. Searle LLC (US) 2001-11-21 EP disclosed
WO-2000047568-A2 1,2-BENZOTHIAZEPINES FOR THE TREATMENT OF HYPERLIPIDEMIC DISEASES G.D. SEARLE LLC (US) 2000-08-17 WO disclosed