SCHEMBL12440880

SCHEMBL12440880

CCc1ccc(C(=O)Nc2ccc3c(c2)Cc2cc(NC(=O)c4ccc(CCCCCCCC[N+](C)(C)C)cc4)ccc2-3)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
MCHR1 Q99705 2/20 0.46
RAB9A P51151 4/20 0.45
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GAA P10253 1/20 0.44
PLK1 P53350 1/20 0.43
TRPV1 Q8NER1 7/20 0.43
NPC1 O15118 3/20 0.43
NR1H4 Q96RI1 1/20 0.42

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
SCHEMBL12440857 0.87 TRPV1 (0.56) KDM4EALDH1A1RAB9ATRPV1NPC1
SCHEMBL12440863 0.87 TRPV1 (0.56) KDM4EALDH1A1RAB9ATRPV1NPC1
SCHEMBL12440869 0.85 TRPV1 (0.57) KDM4EALDH1A1RAB9APLK1TRPV1
SCHEMBL12440877 0.83 TRPV1 (0.52) KDM4EALDH1A1MAPTMCHR1RAB9A
SCHEMBL12440845 0.83 TRPV1 (0.52) KDM4EALDH1A1RAB9APLK1TRPV1
SCHEMBL12440839 0.82 NPC1 (0.50) MAPTRAB9APLK1TRPV1NPC1
SCHEMBL12440850 0.81 HDAC1 (0.49) KDM4EALDH1A1MAPTRAB9APLK1
SCHEMBL12440882 0.81 TRPV1 (0.49) KDM4EALDH1A1MAPTRAB9ALMNA
SCHEMBL12440883 0.81 TRPV1 (0.49) KDM4EALDH1A1RAB9ALMNATRPV1
SCHEMBL12440802 0.78 KDM4E (0.52) KDM4EALDH1A1MAPTHPGDMCHR1

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