SCHEMBL12440801

SCHEMBL12440801

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
RAB9A P51151 5/20 0.47
NPC1 O15118 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
PTPN1 P18031 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
MAPT P10636 3/20 0.46
PLK1 P53350 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
SRC P12931 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CCR5 P51681 1/20 0.43

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
SCHEMBL12440780 0.92 RAB9A (0.54) F2PLGPLAUPLATKLKB1
SCHEMBL12440794 0.88 PLK1 (0.53) F2PLGPLAUPLATKLKB1
SCHEMBL12440789 0.88 NR1H4 (0.52) F2PLGPLAUPLATKLKB1
SCHEMBL12440786 0.84 NR1H4 (0.51) F2PLGPLAUPLATKLKB1
SCHEMBL12440772 0.84 PGR (0.51) F2PLGPLAUPLATKLKB1
SCHEMBL12440805 0.84 F2 (0.47) F2PLGPLAUPLATKLKB1
SCHEMBL12440787 0.81 PGR (0.48) F2PLGPLAUPLATKLKB1
SCHEMBL18177285 0.79 F2 (0.43) F2PLGPLAUPLATKLKB1
SCHEMBL12440769 0.79 NPC1 (0.56) F2PLGPLAUPLATKLKB1
SCHEMBL5380043 0.78 HDAC6 (0.63) F2PLGPLAUPLATKLKB1

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