SCHEMBL12440780

SCHEMBL12440780

CBCc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(NC(=O)c4ccc(CC)cc4)cc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.54
NPC1 O15118 6/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
TRPV1 Q8NER1 2/20 0.54
F2 P00734 1/20 0.53
PLG P00747 1/20 0.53
PLAU P00749 1/20 0.53
PLAT P00750 1/20 0.53
KLKB1 P03952 1/20 0.53
PRSS1 P07477 1/20 0.53
PLK1 P53350 1/20 0.53
SRC P12931 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPT P10636 1/20 0.50
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL12440794 0.96 PLK1 (0.53) RAB9ANPC1SMN1; SMN2TRPV1F2
SCHEMBL12440789 0.96 NR1H4 (0.52) RAB9ANPC1SMN1; SMN2TRPV1F2
SCHEMBL12440786 0.92 NR1H4 (0.51) RAB9ANPC1SMN1; SMN2TRPV1F2
SCHEMBL12440772 0.92 PGR (0.51) RAB9ANPC1SMN1; SMN2TRPV1F2
SCHEMBL12440801 0.92 F2 (0.47) RAB9ANPC1SMN1; SMN2TRPV1F2
SCHEMBL12440805 0.92 F2 (0.47) RAB9ANPC1SMN1; SMN2TRPV1F2
SCHEMBL12440787 0.88 PGR (0.48) RAB9ANPC1SMN1; SMN2TRPV1F2
SCHEMBL12440769 0.86 NPC1 (0.56) RAB9ANPC1F2PLGPLAU
SCHEMBL12440754 0.85 PLK1 (0.50) RAB9ANPC1SMN1; SMN2TRPV1PLK1
SCHEMBL12440802 0.85 KDM4E (0.52) RAB9ANPC1SMN1; SMN2TRPV1F2

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