SCHEMBL9339657

SCHEMBL9339657

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 4/20 0.39
MAPT P10636 2/20 0.37
HTT P42858 3/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2C19 P33261 3/20 0.37
CYP1A2 P05177 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 2/20 0.37
TNKS2 Q9H2K2 1/20 0.36
GAA P10253 1/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
SCN1A P35498 2/20 0.36
SCN2A Q99250 2/20 0.36
SCN3A Q9NY46 2/20 0.36
SMN1; SMN2 Q16637 2/20 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
SCHEMBL9337972 0.81 MAPT (0.41) MAPTHTTKDM4EALDH1A1MEN1
SCHEMBL9729169 0.80 ALDH1A1 (0.36) MAPTHTTKDM4EALDH1A1MEN1
SCHEMBL9338356 0.76 KDM4E (0.37) MAPTHTTKDM4EALDH1A1MEN1
SCHEMBL27687891 0.70 TNKS2 (0.57) MEN1KMT2ATNKS2HTR2AHTR2B
SCHEMBL7212713 0.69 ACHE (0.45) MAPTHTTKDM4EALDH1A1MEN1
SCHEMBL9339655 0.69 TSHR (0.39) MAPTHTTALDH1A1MEN1KMT2A
SCHEMBL27788469 0.68 KMT2A (0.55) SLC29A1KDM4EALDH1A1MEN1KMT2A
SCHEMBL12935903 0.67 SMN1; SMN2 (0.41) MAPTHTTKDM4EALDH1A1MEN1
SCHEMBL4472398 0.66 PDE7A (0.52) MAPTHTTKDM4EALDH1A1MEN1
Dimethylamine SCHEMBL9337974 0.65 ALDH1A1 (0.40) MAPTHTTKDM4EALDH1A1MEN1

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 4 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
US-5236947-A Side effect reduction JOUVEINAL S.A. (FR) 1993-08-17 US disclosed
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
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