SCHEMBL10180310

SCHEMBL10180310

C=CCS(=O)(=O)c1cccc(CC(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.39
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.35
CYP19A1 P11511 1/20 0.35
NPC1 O15118 1/20 0.35
TNF P01375 1/20 0.35
RAB9A P51151 1/20 0.35
NOD1 Q9Y239 1/20 0.35
CA2 P00918 1/20 0.33
CXCR1 P25024 2/20 0.33
CXCR2 P25025 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR6 P50406 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33

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
SCHEMBL10180741 0.83 PNMT (0.41) PNMTALDH1A1KDM4ECYP19A1NPC1
SCHEMBL10180429 0.82 PSIP1 (0.48) PNMTALDH1A1KDM4ENPC1TNF
SCHEMBL10179911 0.81 ALDH1A1 (0.37) PNMTALDH1A1KDM4ECYP19A1NPC1
SCHEMBL10181221 0.81 ALDH1A1 (0.50) PNMTALDH1A1KDM4ECA2CXCR1
SCHEMBL10179603 0.80 KAT6A (0.42) PNMTALDH1A1KDM4ECYP19A1NPC1
SCHEMBL9447674 0.80 PNMT (0.41) PNMTALDH1A1KDM4ECYP19A1NPC1
SCHEMBL15478098 0.79 ALDH1A1 (0.40) PNMTALDH1A1KDM4ECYP19A1NPC1
SCHEMBL27876500 0.79 HTR6 (0.50) PNMTALDH1A1KDM4ENPC1TNF
SCHEMBL10180846 0.78 TSHR (0.45) ALDH1A1MEN1MAPTHTTKMT2A
SCHEMBL10180220 0.78 PNMT (0.40) PNMTALDH1A1KDM4ECA2MEN1

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