SCHEMBL10180931

SCHEMBL10180931

CCC(C)(C)c1ccccc1OS(=O)(=O)C(F)C(F)F

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
SLC22A12 Q96S37 1/20 0.33
CASP1 P29466 2/20 0.32
ELANE P08246 1/20 0.32
HTR6 P50406 1/20 0.30

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
SCHEMBL10180520 0.79 SMN1; SMN2 (0.36) NPC1LMNAMAPK1CASP3RAB9A
SCHEMBL10180560 0.79 MAPK1 (0.36) NPC1LMNAMAPK1CASP3RAB9A
SCHEMBL10179979 0.78 ALDH1A1 (0.47) NPC1LMNAMAPK1RAB9ASMN1; SMN2
SCHEMBL10179774 0.78 DRD2 (0.43)
SCHEMBL10180929 0.77 DRD2 (0.33) NPC1LMNAMAPK1CASP3RAB9A
SCHEMBL10180625 0.76 NPC1 (0.37) NPC1LMNAMAPK1CASP3RAB9A
SCHEMBL10181361 0.75 NPSR1 (0.34) NPC1LMNAMAPK1CASP3RAB9A
SCHEMBL10180626 0.74 CASP1 (0.33) NPC1LMNAMAPK1CASP3RAB9A
SCHEMBL10182027 0.74 NPC1 (0.44) NPC1LMNAMAPK1CASP3RAB9A
SCHEMBL22023792 0.73 SLC22A12 (0.41) NPC1LMNAMAPK1CASP3RAB9A

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