SCHEMBL6672057

SCHEMBL6672057

COc1ccc(CC(CC(=O)c2ccc(F)cc2)C(=O)OC(=O)C(CC(=O)c2ccc(C)cc2)Cc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
MAPK1 P28482 1/20 0.45
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ATM Q13315 1/20 0.43
GAA P10253 1/20 0.42
HSD11B1 P28845 1/20 0.42
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42

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
SCHEMBL6675163 0.94 NPC1 (0.51) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL6672055 0.91 KMT2A (0.50) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL6675156 0.85 NPC1 (0.53) NPC1RAB9ALMNAALDH1A1L3MBTL1
SCHEMBL3110072 0.83 LDHA (0.54) NPC1RAB9AL3MBTL1KMT2APPARG
SCHEMBL6662270 0.81 KMT2A (0.48) NPC1RAB9ALMNAMAPTSMN1; SMN2
SCHEMBL6670996 0.80 ALDH1A1 (0.51) RAB9ALMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL16284888 0.79 NPC1 (0.60) NPC1RAB9AMAPTL3MBTL1KMT2A
SCHEMBL16284887 0.79 NPC1 (0.60) NPC1RAB9AMAPTL3MBTL1KMT2A
SCHEMBL3101828 0.79 NPC1 (0.60) NPC1RAB9AMAPTL3MBTL1KMT2A
SCHEMBL6672877 0.79 NPC1 (0.60) NPC1RAB9AMAPTL3MBTL1KMT2A

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-1458412-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN ALPHA-GLUCOSIDASE INHIBITOR AND A 4-OXOBUTANOIC ACID, AND THE USE THEREOF FOR TREATING DIABETES MERCK PATENT GmbH (DE) 2004-09-22 EP disclosed
WO-2003055523-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN ALPHA-GLUCOSIDASE INHIBITOR AND A 4-OXOBUTANOIC ACID, AND THE USE THEREOF FOR TREATING DIABETES MERCK PATENT GMBH (DE) 2003-07-10 WO disclosed