SCHEMBL12440862

SCHEMBL12440862

CCCCCCCc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(NC(=O)c4ccc(CC)cc4)cc3)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.69
KDM4E B2RXH2 2/20 0.65
NPC1 O15118 1/20 0.60
GALR3 O60755 1/20 0.60
RAB9A P51151 1/20 0.60
THRA P10827 2/20 0.59
THRB P10828 2/20 0.59
BDKRB2 P30411 1/20 0.59
PLK1 P53350 4/20 0.59
PLK3 Q9H4B4 3/20 0.59

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
SCHEMBL2836041 0.90 TRPV1 (0.64) TRPV1KDM4ENPC1GALR3RAB9A
SCHEMBL15922369 0.90 TRPV1 (0.68) TRPV1KDM4ENPC1GALR3RAB9A
SCHEMBL1834503 0.90 TRPV1 (0.68) TRPV1KDM4ENPC1GALR3RAB9A
SCHEMBL15923653 0.90 TRPV1 (0.68) TRPV1KDM4ENPC1GALR3RAB9A
SCHEMBL8388379 0.90 TRPV1 (0.68) TRPV1KDM4ENPC1GALR3RAB9A
SCHEMBL8391488 0.90 TRPV1 (0.68) TRPV1KDM4ENPC1GALR3RAB9A
SCHEMBL8756857 0.90 TRPV1 (0.68) TRPV1KDM4ENPC1GALR3RAB9A
SCHEMBL2831713 0.90 TRPV1 (0.68) TRPV1KDM4ENPC1GALR3RAB9A
SCHEMBL8756973 0.90 TRPV1 (0.68) TRPV1KDM4ENPC1GALR3RAB9A
SCHEMBL8755809 0.90 TRPV1 (0.68) TRPV1KDM4ENPC1GALR3RAB9A

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