SCHEMBL10179464

SCHEMBL10179464

C=CCS(=O)(=O)c1ccc(C(C)(C)CC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
LMNA P02545 2/20 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
MAPT P10636 1/20 0.37
CTSK P43235 1/20 0.36
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 1/20 0.35
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
KCNH2 Q12809 1/20 0.34
CDK1 P06493 1/20 0.34
CDK2 P24941 1/20 0.34

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
SCHEMBL12005105 0.84 ALDH1A1 (0.50) PNMTNPC1RAB9ALMNAMAPK1
SCHEMBL10180558 0.82 PSIP1 (0.50) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL10180421 0.81 LMNA (0.41) PNMTNPC1RAB9ALMNAMAPK1
SCHEMBL10180381 0.79 NPC1 (0.47) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL10180062 0.76 NPC1 (0.44) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL10181733 0.76 NPC1 (0.46) NPC1RAB9ALMNAMAPK1CASP3
Chloromethane SCHEMBL27592976 0.75 CTSK (0.56) PNMTNPC1LMNAMAPTCTSK
SCHEMBL1204934 0.75 CA2 (0.52) PNMTLMNASMN1; SMN2MAPTCTSK
SCHEMBL10181139 0.75 ALDH1A1 (0.42) PNMTNPC1RAB9ALMNAMAPK1
SCHEMBL2548723 0.74 CTSK (0.59) PNMTNPC1SMN1; SMN2MAPTCTSK

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