SCHEMBL12440833

SCHEMBL12440833

CCc1ccc(C(=O)Nc2cc(C)c(NC(=O)c3ccc(CCCCCCCC[N+](C)(C)C)cc3)cc2C)cc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 16/20 0.50
PLK3 Q9H4B4 9/20 0.50
SLC16A3 O15427 1/20 0.47
NPC1 O15118 1/20 0.44
EGFR P00533 1/20 0.44

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
SCHEMBL12440836 0.94 NPC1 (0.48) PLK1PLK3SLC16A3NPC1EGFR
SCHEMBL12440888 0.91 PLK1 (0.49) PLK1PLK3SLC16A3EGFR
SCHEMBL12440839 0.90 NPC1 (0.50) PLK1PLK3SLC16A3NPC1EGFR
SCHEMBL12440904 0.87 NPC1 (0.53) PLK1PLK3SLC16A3NPC1
SCHEMBL12440890 0.86 PLK1 (0.43) PLK1PLK3SLC16A3NPC1
SCHEMBL12440824 0.85 PLK1 (0.46) PLK1PLK3SLC16A3
SCHEMBL12440857 0.85 TRPV1 (0.56) NPC1
SCHEMBL12440863 0.85 TRPV1 (0.56) NPC1
SCHEMBL12440853 0.85 PLK1 (0.54) PLK1PLK3SLC16A3
SCHEMBL12440869 0.84 TRPV1 (0.57) PLK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8519040-B2 Ionic organic compound, production method thereof, hydrogelling agent composed of the ionic organic compound, hydrogel containing same, methanol gelling agent, methanol gel containing same, and carbon nanotube dispersant NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2013-08-27 US disclosed
US-20110178218-A1 IONIC ORGANIC COMPOUND, PRODUCTION METHOD THEREOF, HYDROGELLING AGENT COMPOSED OF THE IONIC ORGANIC COMPOUND, HYDROGEL CONTAINING SAME, METHANOL GELLING AGENT, METHANOL GEL CONTAINING SAME, AND CARBON NANOTUBE DISPERSANT National Institute of Avanced Industrial Science and Technology (JP) 2011-07-21 US disclosed