SCHEMBL9729166

SCHEMBL9729166

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.33
ATM Q13315 2/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
XBP1 P17861 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
PAX8 Q06710 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LY96 Q9Y6Y9 1/20 0.33
GSK3B P49841 1/20 0.33
CA14 Q9ULX7 1/20 0.33

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
SCHEMBL9338353 0.81 L3MBTL1 (0.37) MAPTATMCA12CA1CA2
SCHEMBL9339655 0.80 TSHR (0.39) MAPTGAAHTTALDH1A1PKM
SCHEMBL9337958 0.77 MAPT (0.40) MAPTCA9GAAHTTALDH1A1
SCHEMBL9339658 0.76 ALDH1A1 (0.33) ATMALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL9729169 0.69 ALDH1A1 (0.36) MAPTATMCA12CA1CA2
SCHEMBL7212713 0.69 ACHE (0.45) MAPTATMCA9TDP1HTT
SCHEMBL9338356 0.65 KDM4E (0.37) MAPTATMCA12CA1CA2
SCHEMBL11014096 0.65 L3MBTL1 (0.38) MAPTALDH1A1L3MBTL1LMNAMEN1
SCHEMBL8563574 0.61 MAPT (0.44) MAPTCA9ALDH1A1L3MBTL1KDM4E
SCHEMBL9337972 0.61 MAPT (0.41) MAPTCA9GAAHTTALDH1A1

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
US-5143938-A PROPANAMINES, THEIR PHARMACOLOGICAL PROPERTIES AND THEIR APPLICATION FOR THERAPEUTIC IN PARTICULAR ANTIDIARRHEAL, PURPOSES JOUVEINAL S.A. (FR) 1992-09-01 US disclosed