SCHEMBL10180331

SCHEMBL10180331

CCC(C)(C)c1ccc(OS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.54
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.45
CYP2C9 P11712 1/20 0.45
MEN1 O00255 1/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPK1 P28482 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 1/20 0.44
CA12 O43570 2/20 0.44
CA2 P00918 2/20 0.44
MAOB P27338 2/20 0.43
ENPP1 P22413 2/20 0.43
LMNA P02545 2/20 0.43
ENPP3 O14638 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
SCHEMBL10180569 0.86 ENPP1 (0.48) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL1826441 0.85 TDP1 (0.51) TDP1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL11132809 0.85 MAPT (0.62) TDP1NPC1RAB9AMAPTALDH1A1
SCHEMBL1826558 0.84 TDP1 (0.50) TDP1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL10181935 0.84 SMN1; SMN2 (0.47) TDP1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3838595 0.83 TDP1 (0.61) TDP1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL2986520 0.83 TDP1 (0.61) TDP1NPC1RAB9AMAPTSMN1; SMN2
Hydrogen Sulfide SCHEMBL15619066 0.82 TDP1 (0.59) TDP1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL1825820 0.81 TDP1 (0.48) TDP1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL5269496 0.80 NPC1 (0.50) TDP1NPC1RAB9AMAPTSMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130244122-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME ONUKI MASAMICHI (JP) 2013-09-19 US disclosed
US-20120219866-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-30 US disclosed
EP-2475041-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION, AND NON-AQUEOUS ELECTROLYTE BATTERY COMPRISING SAME Mitsubishi Chemical Corporation (JP) 2012-07-11 EP disclosed