SCHEMBL7714920

SCHEMBL7714920

CC(C)(C)OC(=O)Nc1c(OS(C)(=O)=O)ccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
NQO2 P16083 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
KCNJ11 Q14654 2/20 0.40
KAT6A Q92794 1/20 0.39
HCRTR1 O43613 2/20 0.39
HSD17B2 P37059 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
ABCC9 O60706 1/20 0.37
ABCC8 Q09428 1/20 0.37
KCNJ8 Q15842 1/20 0.37
NCEH1 Q6PIU2 3/20 0.36
G6PD P11413 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
SCHEMBL29954877 0.76 GAA (0.46) MEN1NPC1GAARAB9AKMT2A
SCHEMBL487112 0.73 TRPV1 (0.44) MEN1NPC1RAB9AKMT2ANQO2
SCHEMBL7709280 0.72 ALDH1A1 (0.39) MEN1NPC1GAARAB9AKMT2A
SCHEMBL2396852 0.71 ALDH1A1 (0.63) MEN1NPC1GAARAB9AKMT2A
SCHEMBL24150678 0.71 LMNA (0.46) MEN1NPC1GAARAB9AKMT2A
SCHEMBL30190664 0.71 LMNA (0.46) MEN1NPC1GAARAB9AKMT2A
SCHEMBL7717601 0.71 ALDH1A1 (0.37) MEN1NPC1GAARAB9AKMT2A
SCHEMBL5622577 0.70 MEN1 (0.45) MEN1NPC1GAARAB9AKMT2A
SCHEMBL24151446 0.70 AXL (0.37) MEN1NPC1GAARAB9AKMT2A
SCHEMBL14862206 0.70 ALDH1A1 (0.42) GAAKAT6ACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6441017-B1 Inhibitors of prenyl-protein transferase MERCK & CO., INC. 2002-08-27 US disclosed
EP-1214326-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2002-06-19 EP disclosed
WO-2001018006-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 WO disclosed