SCHEMBL10179893

SCHEMBL10179893

CCC(C)(C)c1cccc(OS(=O)(=O)Cc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
HTT P42858 1/20 0.45
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP3 P42574 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
CETP P11597 1/20 0.38
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
CNR2 P34972 1/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35

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) KMT2ANPC1RAB9ALMNAMAPK1
SCHEMBL10179922 0.85 KMT2A (0.63) KMT2AHTTNPC1RAB9ALMNA
SCHEMBL10179529 0.82 RAB9A (0.43) KMT2AHTTNPC1RAB9ALMNA
SCHEMBL10181935 0.81 SMN1; SMN2 (0.47) HTTNPC1RAB9ALMNAMAPK1
SCHEMBL10180835 0.80 NPC1 (0.44) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL10180418 0.80 NPC1 (0.44) KMT2ANPC1RAB9ALMNAMAPK1
SCHEMBL26571369 0.79 NPC1 (0.43) KMT2ANPC1RAB9ALMNAMAPK1
SCHEMBL10179901 0.78 NPC1 (0.38) KMT2ANPC1RAB9ALMNAMAPK1
SCHEMBL16395266 0.77 NPC1 (0.38) KMT2ANPC1RAB9ALMNAMAPK1
SCHEMBL10180926 0.76 LMNA (0.44) KMT2ANPC1RAB9ALMNAMAPK1

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