SCHEMBL12440786

SCHEMBL12440786

CBCc1ccc(C(=O)Nc2ccc(C(C)(C)c3ccc(C(C)(C)c4ccc(NC(=O)c5ccc(CC)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.51
SMN1; SMN2 Q16637 5/20 0.49
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
ALDH1A1 P00352 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
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
TRPV1 Q8NER1 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
PLK1 P53350 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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) SMN1; SMN2MAPTLMNAALDH1A1F2
SCHEMBL12440794 0.88 PLK1 (0.53) SMN1; SMN2MAPTALDH1A1F2PLG
SCHEMBL12440789 0.88 NR1H4 (0.52) NR1H4SMN1; SMN2MAPTF2PLG
SCHEMBL12440772 0.84 PGR (0.51) SMN1; SMN2MAPTLMNAALDH1A1F2
SCHEMBL12440805 0.84 F2 (0.47) SMN1; SMN2MAPTALDH1A1F2PLG
SCHEMBL12440801 0.84 F2 (0.47) SMN1; SMN2MAPTLMNAALDH1A1F2
SCHEMBL7301317 0.82 NR1H4 (0.73) NR1H4SMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL12440787 0.81 PGR (0.48) NR1H4SMN1; SMN2MAPTALDH1A1F2
SCHEMBL18177276 0.79 NR1H4 (0.46) NR1H4SMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL12440769 0.79 NPC1 (0.56) NR1H4MAPTALDH1A1F2PLG

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