SCHEMBL10180558

SCHEMBL10180558

CCC(C)(C)c1ccc(S(=O)(=O)CC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 2/20 0.50
GAA P10253 1/20 0.50
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44
CASP3 P42574 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
MAPT P10636 2/20 0.43
RORC P51449 7/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
DRD2 P14416 1/20 0.39

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
SCHEMBL10181733 0.85 NPC1 (0.46) GAANPC1RAB9ALMNAMAPK1
SCHEMBL10181139 0.83 ALDH1A1 (0.42) GAANPC1RAB9ALMNAMAPK1
SCHEMBL10181070 0.83 ENPP2 (0.45) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL9906397 0.83 ALDH1A1 (0.59) PSIP1GAANPC1RAB9ALMNA
SCHEMBL10179464 0.82 PNMT (0.38) PSIP1GAANPC1RAB9ALMNA
SCHEMBL2974299 0.82 CA2 (0.53) NPC1RAB9ASMN1; SMN2MAPTCA1
SCHEMBL4733508 0.82 LMNA (0.45) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL344370 0.82 NPC1 (0.43) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL22518681 0.82 NPC1 (0.43) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL10180018 0.81 TSHR (0.53) PSIP1NPC1RAB9ALMNAMAPK1

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