SCHEMBL9338353

SCHEMBL9338353

COc1cc(C2(C(C)S(=O)(=O)OC)OCCO2)cc(OC)c1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 5/20 0.35
ATM Q13315 2/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
XBP1 P17861 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
PAX8 Q06710 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LY96 Q9Y6Y9 1/20 0.35
CA14 Q9ULX7 1/20 0.35

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
SCHEMBL9729166 0.81 MAPT (0.33) L3MBTL1GAAHTTMAPTATM
SCHEMBL9337958 0.79 MAPT (0.40) GAAHTTMAPTCA9ALDH1A1
SCHEMBL9339655 0.76 TSHR (0.39) L3MBTL1GAAHTTMAPTALDH1A1
SCHEMBL7212713 0.71 ACHE (0.45) L3MBTL1HTTMAPTATMCA9
SCHEMBL9338356 0.69 KDM4E (0.37) L3MBTL1GAAHTTMAPTATM
SCHEMBL9729169 0.66 ALDH1A1 (0.36) L3MBTL1GAAHTTMAPTATM
SCHEMBL8563574 0.63 MAPT (0.44) L3MBTL1MAPTCA9ALDH1A1PTAFR
SCHEMBL9337972 0.63 MAPT (0.41) L3MBTL1GAAHTTMAPTCA9
SCHEMBL9850089 0.62 ATM (0.40) L3MBTL1MAPTATMCA9TDP1
SCHEMBL9339657 0.61 SLC29A1 (0.39) L3MBTL1GAAHTTMAPTALDH1A1

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-0450995-B1 New propanamines, their pharmacological properties and their therapeutical applications, notably as anti-diarrhoea agents JOUVEINAL SA (FR) 1994-06-08 EP disclosed
EP-0450995-A1 New propanamines, their pharmacological properties and their therapeutical applications, notably as anti-diarrhoea agents JOUVEINAL S.A. (FR) 1991-10-09 EP disclosed