SCHEMBL10179901

SCHEMBL10179901

C=CCS(=O)(=O)Oc1cccc(C(C)(C)CC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP3 P42574 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.38
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
BRAF P15056 1/20 0.32
EPAS1 Q99814 1/20 0.32
CNR1 P21554 3/20 0.32
CNR2 P34972 3/20 0.32
MAPT P10636 1/20 0.31

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 0.86 NPC1 (0.44) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL10180806 0.83 NPC1 (0.40) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL10180062 0.83 NPC1 (0.44) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL10179529 0.82 RAB9A (0.43) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL10180418 0.80 NPC1 (0.44) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL26571369 0.79 NPC1 (0.43) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL10179893 0.78 KMT2A (0.58) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL10180835 0.77 NPC1 (0.44) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL10180421 0.76 LMNA (0.41) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL16395199 0.75 NPC1 (0.34) NPC1RAB9ALMNAMAPK1CASP3

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