SCHEMBL3812431

SCHEMBL3812431

CCC[N+]1(CCCO)CCCC1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL22500693 0.98 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1
SCHEMBL3814229 0.93 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1
SCHEMBL22500701 0.91 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1
SCHEMBL22500789 0.91 LMNA (0.42) ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1
SCHEMBL3815803 0.91 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1
SCHEMBL22500751 0.90 LMNA (0.41) ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1
Iodide SCHEMBL14778058 0.88 LMNA (0.39) ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1
Hydrochloric Acid SCHEMBL14779149 0.88 LMNA (0.39) ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1
Bromide SCHEMBL14779567 0.88 LMNA (0.39) ALDH1A1SMN1; SMN2LMNAHSD17B10MEN1
SCHEMBL3817060 0.86 NPC1 (0.33) NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090242414-A1 ELECTRONCHEMICAL DEPOSITION OF TANTALUM AND/OR COPPER IN IONIC LIQUIDS MERCK PATENT GMBH (DE) 2009-10-01 US claimed
EP-1951934-B1 ELECTROCHEMICAL DEPOSITION OF SELENIUM IN IONIC LIQUIDS MERCK PATENT GMBH (DE) 2009-08-19 EP claimed
US-20080210566-A1 Electrochemical Deposition of Selenium in Ionic Liquids MERCK PATENT GESELLSCHAFT (DE) 2008-09-04 US claimed
EP-1951934-A1 ELECTROCHEMICAL DEPOSITION OF SELENIUM IN IONIC LIQUIDS Merck Patent GmbH (DE) 2008-08-06 EP claimed
EP-1831433-A2 ELECTROCHEMICAL DEPOSITION OF TANTALUM AND/OR COPPER IN IONIC LIQUIDS Merck Patent GmbH (DE) 2007-09-12 EP claimed
WO-2007039035-A1 ELECTROCHEMICAL DEPOSITION OF SELENIUM IN IONIC LIQUIDS MERCK PATENT GMBH (DE) 2007-04-12 WO claimed
WO-2006061081-A2 ELECTROCHEMICAL DEPOSITION OF TANTALUM AND/OR COPPER IN IONIC LIQUIDS MERCK PATENT GMBH (DE) 2006-06-15 WO claimed
US-20090242414-A1 ELECTRONCHEMICAL DEPOSITION OF TANTALUM AND/OR COPPER IN IONIC LIQUIDS MERCK PATENT GMBH (DE) 2009-10-01 US disclosed
EP-1951934-B1 ELECTROCHEMICAL DEPOSITION OF SELENIUM IN IONIC LIQUIDS MERCK PATENT GMBH (DE) 2009-08-19 EP disclosed
US-20080210566-A1 Electrochemical Deposition of Selenium in Ionic Liquids MERCK PATENT GESELLSCHAFT (DE) 2008-09-04 US disclosed
EP-1951934-A1 ELECTROCHEMICAL DEPOSITION OF SELENIUM IN IONIC LIQUIDS Merck Patent GmbH (DE) 2008-08-06 EP disclosed
EP-1831433-A2 ELECTROCHEMICAL DEPOSITION OF TANTALUM AND/OR COPPER IN IONIC LIQUIDS Merck Patent GmbH (DE) 2007-09-12 EP disclosed
WO-2007039035-A1 ELECTROCHEMICAL DEPOSITION OF SELENIUM IN IONIC LIQUIDS MERCK PATENT GMBH (DE) 2007-04-12 WO disclosed
WO-2006061081-A2 ELECTROCHEMICAL DEPOSITION OF TANTALUM AND/OR COPPER IN IONIC LIQUIDS MERCK PATENT GMBH (DE) 2006-06-15 WO disclosed