SCHEMBL12440863

SCHEMBL12440863

CCc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(NC(=O)c4ccc(CCCCCC[N+](C)(C)C)cc4)cc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 10/20 0.56
KDM4E B2RXH2 2/20 0.53
NR1H4 Q96RI1 2/20 0.50
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
GALR3 O60755 1/20 0.49
F2 P00734 1/20 0.47
PLG P00747 1/20 0.47
PLAU P00749 1/20 0.47
PLAT P00750 1/20 0.47
KLKB1 P03952 1/20 0.47
PRSS1 P07477 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.46

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 1.00 TRPV1 (0.56) TRPV1KDM4ENR1H4RAB9ANPC1
SCHEMBL12440869 0.99 TRPV1 (0.57) TRPV1KDM4ENR1H4RAB9ANPC1
SCHEMBL12440845 0.96 TRPV1 (0.52) TRPV1KDM4ENR1H4RAB9ANPC1
SCHEMBL12440877 0.96 TRPV1 (0.52) TRPV1KDM4ENR1H4RAB9ANPC1
SCHEMBL12440882 0.93 TRPV1 (0.49) TRPV1KDM4ENR1H4RAB9ANPC1
SCHEMBL12440883 0.93 TRPV1 (0.49) TRPV1KDM4ENR1H4RAB9ANPC1
SCHEMBL12440850 0.93 HDAC1 (0.49) TRPV1KDM4ENR1H4RAB9ANPC1
SCHEMBL12440839 0.88 NPC1 (0.50) TRPV1RAB9ANPC1
SCHEMBL12440824 0.87 PLK1 (0.46) TRPV1KDM4E
SCHEMBL12440880 0.87 KDM4E (0.47) TRPV1KDM4ENR1H4RAB9ANPC1

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