SCHEMBL3813019

SCHEMBL3813019

CN(CCO)CCOCCc1cccc2sccc12

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
OPRM1 P35372 3/20 0.41
OPRK1 P41145 3/20 0.41
CYP19A1 P11511 1/20 0.38
TBXAS1 P24557 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 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
Hydrochloric Acid SCHEMBL3808267 0.99 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1KMT2AOPRM1
SCHEMBL3817882 0.85 OPRM1 (0.45) OPRM1OPRK1CYP19A1TBXAS1
Hydrochloric Acid SCHEMBL3815960 0.84 OPRM1 (0.46) OPRM1OPRK1CYP19A1TBXAS1
SCHEMBL47979 0.81 CYP19A1 (0.43) OPRM1OPRK1CYP19A1TBXAS1
SCHEMBL3809768 0.81 CYP19A1 (0.43) ALDH1A1KDM4EOPRM1OPRK1CYP19A1
SCHEMBL3815489 0.80 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1KMT2AOPRM1
SCHEMBL13873185 0.80 CYP19A1 (0.46) OPRM1OPRK1CYP19A1TBXAS1
SCHEMBL3813271 0.79 ALDH1A1 (0.66) ALDH1A1KDM4EMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL3817934 0.79 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1KMT2AOPRM1
Oxalic Acid SCHEMBL3811985 0.77 KDM4E (0.49) ALDH1A1KDM4EOPRM1OPRK1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1186594-B1 N-ALKOXYALKYL-N,N-DIALKYLAMINE DERIVATIVES OR SALTS THEREOF, AND REMEDIES FOR NERVE DEGENERATION DISEASES CONTAINING THE SAME TOYAMA CHEMICAL CO LTD (JP) 2009-08-05 EP disclosed
US-6797726-B1 N-alkoxyalkyl-N,N-dialkylamine derivatives or salts thereof, and remedies for nerve degeneration diseases containing the same TOYAMA CHEMICAL CO., LTD. (JP) 2004-09-28 US disclosed
EP-1186594-A1 N-ALKOXYALKYL-N,N-DIALKYLAMINE DERIVATIVES OR SALTS THEREOF, AND REMEDIES FOR NERVE DEGENERATION DISEASES CONTAINING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 2002-03-13 EP disclosed