SCHEMBL10179978

SCHEMBL10179978

CCC(C)(C)c1cccc(S(C)(=O)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP3 P42574 1/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
DRD2 P14416 3/20 0.40
NR3C1 P04150 1/20 0.40
LOXL2 Q9Y4K0 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
LOX P28300 1/20 0.38
KCNA5 P22460 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL10180431 0.87 SMN1; SMN2 (0.49) KIF11NPC1RAB9ALMNAMAPK1
SCHEMBL25005768 0.86 KIF11 (0.47) KIF11NPC1RAB9ALMNAMAPK1
SCHEMBL10181288 0.86 PSIP1 (0.48) KIF11NPC1RAB9ALMNAMAPK1
SCHEMBL13898726 0.84 SMN1; SMN2 (0.46) KIF11NPC1RAB9ALMNAMAPK1
SCHEMBL19518816 0.84 CA2 (0.53) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL10179833 0.83 SMN1; SMN2 (0.49) KIF11NPC1RAB9ALMNAMAPK1
SCHEMBL29301827 0.81 NR3C2 (0.49) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL10181261 0.81 LMNA (0.44) NPC1RAB9ALMNAMAPK1CASP3
SCHEMBL798087 0.81 KIF11 (0.50) KIF11NPC1RAB9ACASP3SMN1; SMN2
SCHEMBL10181742 0.81 SMN1; SMN2 (0.41) KIF11NPC1RAB9ALMNAMAPK1

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