SCHEMBL12005159

SCHEMBL12005159

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
PKM P14618 1/20 0.43
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
PGR P06401 1/20 0.38
TYR P14679 2/20 0.38
KAT6A Q92794 1/20 0.37
POLB P06746 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL11951594 0.83 ALDH1A1 (0.52) ALDH1A1LMNAMAPTKDM4EGAA
SCHEMBL12695013 0.83 ALDH1A1 (0.47) ALDH1A1LMNAMAPTKDM4EGAA
SCHEMBL10180258 0.82 MEN1 (0.41) ALDH1A1KDM4EGAAPKMCA1
SCHEMBL10179568 0.79 KAT6A (0.41) ALDH1A1MAPTKDM4ESMN1; SMN2CA1
SCHEMBL105259 0.79 ALDH1A1 (0.50) ALDH1A1LMNAMAPTKDM4EGAA
SCHEMBL10180191 0.76 ALDH1A1 (0.51) ALDH1A1LMNAKDM4ESMN1; SMN2CA12
SCHEMBL10181400 0.74 CA2 (0.52) ALDH1A1LMNAMAPTKDM4ESMN1; SMN2
SCHEMBL10179517 0.74 ALDH1A1 (0.52) ALDH1A1LMNAMAPTKDM4EGAA
SCHEMBL24810807 0.74 ALDH1A1 (0.50) ALDH1A1LMNAMAPTKDM4EGAA
SCHEMBL11850699 0.73 LMNA (0.70) ALDH1A1LMNAMAPTKDM4EGAA

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 2 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