SCHEMBL7846525

SCHEMBL7846525

CCCCC(CO)(CCCC)N(Cc1ccccc1)S(=O)(=O)c1ccc(N(C)C)cc1Cc1ccc(OC)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.40
CNR1 P21554 2/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TAS2R14 Q9NYV8 4/20 0.38
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
PGR P06401 2/20 0.37
NR3C1 P04150 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PTGES O14684 1/20 0.37
TAS2R8 Q9NYW2 1/20 0.37
CXCR3 P49682 1/20 0.37
ACHE P22303 1/20 0.36

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 0.87 CNR2 (0.37) CNR2CNR1MEN1KMT2ATAS2R14
SCHEMBL7845257 0.87 CNR1 (0.37) CNR2CNR1MEN1KMT2ATAS2R14
SCHEMBL7838190 0.84 LMNA (0.41) CNR1MEN1KMT2AALDH1A1LMNA
SCHEMBL7846766 0.79 CNR2 (0.40) CNR2CNR1MEN1KMT2ATAS2R14
SCHEMBL7846527 0.79 CNR2 (0.46) CNR2CNR1MEN1KMT2ATAS2R14
SCHEMBL7837233 0.78 MEN1 (0.35) CNR2MEN1KMT2AALDH1A1LMNA
SCHEMBL7848425 0.77 CNR2 (0.33) CNR2CNR1MEN1KMT2AKEAP1
SCHEMBL7837755 0.77 CNR2 (0.35) CNR2CNR1MEN1KMT2AKEAP1
SCHEMBL7846237 0.75 APP (0.34) CNR2CNR1MEN1KMT2AALDH1A1
SCHEMBL7837396 0.73 CYP1A2 (0.36) CNR1MEN1KMT2ANR3C1ALDH1A1

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