SCHEMBL10180418

SCHEMBL10180418

CCC(C)(C)c1cccc(OS(C)(=O)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
CASP3 P42574 1/20 0.44
ATM Q13315 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
CYP2C9 P11712 1/20 0.43
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL10180101 0.87 NPC1 (0.44) NPC1RAB9AMAPK1SMN1; SMN2LMNA
SCHEMBL26571369 0.86 NPC1 (0.43) NPC1RAB9AMAPK1SMN1; SMN2LMNA
SCHEMBL10180835 0.84 NPC1 (0.44) NPC1RAB9AMAPK1SMN1; SMN2LMNA
SCHEMBL10179529 0.83 RAB9A (0.43) NPC1RAB9AMAPK1SMN1; SMN2LMNA
SCHEMBL2980656 0.83 ALDH1A1 (0.51) NPC1RAB9ALMNACASP3SENP8
SCHEMBL10181549 0.83 ALDH1A1 (0.40) NPC1RAB9AMAPK1SMN1; SMN2LMNA
SCHEMBL10180806 0.82 NPC1 (0.40) NPC1RAB9AMAPK1SMN1; SMN2LMNA
SCHEMBL10181935 0.82 SMN1; SMN2 (0.47) NPC1RAB9AMAPK1SMN1; SMN2LMNA
SCHEMBL10180540 0.81 NPC1 (0.39) NPC1RAB9AMAPK1SMN1; SMN2LMNA
SCHEMBL10179893 0.80 KMT2A (0.58) NPC1RAB9AMAPK1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2490291-B1 LITHIUM SECONDARY BATTERY, AND NON-AQUEOUS ELECTROLYTIC SOLUTION FOR USE IN THE LITHIUM SECONDARY BATTERY UBE INDUSTRIES (JP) 2014-12-03 EP disclosed
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-2490291-A1 LITHIUM SECONDARY BATTERY, AND NON-AQUEOUS ELECTROLYTIC SOLUTION FOR USE IN THE LITHIUM SECONDARY BATTERY Ube Industries, Ltd. (JP) 2012-08-22 EP disclosed
US-20120183846-A1 LITHIUM SECONDARY BATTERY, AND NON-AQUEOUS ELECTROLYTIC SOLUTION FOR USE IN THE LITHIUM SECONDARY BATTERY UBE INDUSTRIES, LTD. (JP) 2012-07-19 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