SCHEMBL10180429

SCHEMBL10180429

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 2/20 0.48
ALDH1A1 P00352 1/20 0.40
RORC P51449 2/20 0.39
NPC1 O15118 1/20 0.39
TNF P01375 1/20 0.39
RAB9A P51151 1/20 0.39
NOD1 Q9Y239 1/20 0.39
BRD4 O60885 1/20 0.38
NAMPT P43490 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
PNMT P11086 1/20 0.37
HTR6 P50406 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
CA2 P00918 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
SCHEMBL27876500 0.85 HTR6 (0.50) ALDH1A1NPC1TNFRAB9ANOD1
SCHEMBL10180846 0.85 TSHR (0.45) PSIP1ALDH1A1HTR6
SCHEMBL10181528 0.84 NR1H2 (0.45) ALDH1A1RORCNPC1TNFRAB9A
SCHEMBL10180467 0.83 HTR2A (0.41) ALDH1A1RORCNPC1TNFRAB9A
SCHEMBL10180310 0.82 PNMT (0.39) ALDH1A1NPC1TNFRAB9ANOD1
SCHEMBL23665873 0.82 NPC1 (0.42) ALDH1A1NPC1TNFRAB9ANOD1
SCHEMBL8191003 0.82 CA2 (0.55) CA2
SCHEMBL13241241 0.82 ALDH1A1 (0.47) ALDH1A1RORCNPC1TNFRAB9A
SCHEMBL15478098 0.82 ALDH1A1 (0.40) ALDH1A1NPC1TNFRAB9ANOD1
SCHEMBL10066425 0.81 PSIP1 (0.56) PSIP1ALDH1A1NPC1TNFRAB9A

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