SCHEMBL7079374

SCHEMBL7079374

COCCOc1c(COC2CN(OC(=O)OC(C)(C)C)CCC2c2ccc(OCc3nc(-c4cccs4)no3)cc2)ccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
TSHR P16473 2/20 0.41
RAB9A P51151 6/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
NPC1 O15118 4/20 0.39
FFAR1 O14842 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 4/20 0.36
REN P00797 2/20 0.35
LMNA P02545 4/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PKM P14618 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
POLB P06746 1/20 0.32
ADRB2 P07550 1/20 0.32

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
SCHEMBL7083148 0.96 MAPT (0.40) MAPTTSHRRAB9ASMN1; SMN2NPC1
SCHEMBL6041547 0.88 MAPT (0.43) MAPTTSHRRAB9ASMN1; SMN2NPC1
SCHEMBL6043246 0.87 MAPT (0.41) MAPTTSHRRAB9ASMN1; SMN2NPC1
SCHEMBL7080728 0.86 REN (0.49) MAPTTSHRRAB9ASMN1; SMN2NPC1
SCHEMBL7080600 0.86 MAPT (0.42) MAPTTSHRRAB9ASMN1; SMN2NPC1
SCHEMBL6042439 0.84 MAPT (0.42) MAPTTSHRRAB9ASMN1; SMN2NPC1
SCHEMBL7080459 0.83 NPC1 (0.36) MAPTRAB9ASMN1; SMN2NPC1L3MBTL1
SCHEMBL7080086 0.83 REN (0.31) REN
SCHEMBL7076917 0.82 REN (0.33) REN
SCHEMBL6961201 0.82 MAPT (0.45) MAPTTSHRRAB9ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed