SCHEMBL3810178

SCHEMBL3810178

CCN(CCO)CCOCCc1ccc2sccc2c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.49
▸ CYP2A6 P11509 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.36
▸ BIRC5 O15392 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ OPRM1 P35372 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ LSS P48449 1/20 0.31

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
Oxalic Acid SCHEMBL3812446 0.94 SIGMAR1 (0.46) SIGMAR1CYP2A6KDM4ELMNAALDH1A1
SCHEMBL14492178 0.93 SIGMAR1 (0.53) SIGMAR1CYP2A6KDM4EBIRC5PDE10A
SCHEMBL3817737 0.93 SIGMAR1 (0.53) SIGMAR1CYP2A6PDE10ACA12CA2
Hydrochloric Acid SCHEMBL3818441 0.91 SIGMAR1 (0.52) SIGMAR1CYP2A6KDM4EPDE10AALDH1A1
SCHEMBL3807907 0.91 SIGMAR1 (0.51) SIGMAR1CYP2A6KDM4EBIRC5PDE10A
SCHEMBL3807910 0.85 SIGMAR1 (0.51) SIGMAR1CYP2A6KDM4EPDE10ALMNA
SCHEMBL3813063 0.85 SIGMAR1 (0.47) SIGMAR1CYP2A6LMNAALDH1A1OPRM1
SCHEMBL3812405 0.85 SIGMAR1 (0.50) SIGMAR1CYP2A6KDM4E
SCHEMBL3816113 0.84 SIGMAR1 (0.55) SIGMAR1CYP2A6KDM4EBIRC5PDE10A
SCHEMBL3811794 0.84 SIGMAR1 (0.45) SIGMAR1CYP2A6KDM4EBIRC5PDE10A

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
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