SCHEMBL10180698

SCHEMBL10180698

CCC(C)(C)c1cccc(OS(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
DRD2 P14416 1/20 0.46
DRD1 P21728 1/20 0.46
DRD4 P21917 1/20 0.46
DRD5 P21918 1/20 0.46
DRD3 P35462 1/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAOB P27338 1/20 0.44
L3MBTL1 Q9Y468 4/20 0.43
GAA P10253 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 3/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
GPR17 Q13304 1/20 0.42
G6PD P11413 1/20 0.41

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
SCHEMBL10181935 0.89 SMN1; SMN2 (0.47) ALDH1A1LMNAMAOBL3MBTL1GAA
SCHEMBL2977747 0.86 ALDH1A1 (0.50) ALDH1A1DRD2DRD1DRD4DRD5
SCHEMBL10180569 0.83 ENPP1 (0.48) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL2236222 0.82 MEN1 (0.55) ALDH1A1DRD2DRD1DRD4DRD5
SCHEMBL29599829 0.82 MEN1 (0.55) ALDH1A1DRD2DRD1DRD4DRD5
SCHEMBL10180418 0.80 NPC1 (0.44) ALDH1A1DRD2DRD3LMNAMEN1
SCHEMBL10180101 0.80 NPC1 (0.44) ALDH1A1LMNAMEN1KMT2AMAPK1
SCHEMBL10179529 0.79 RAB9A (0.43) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL26571369 0.79 NPC1 (0.43) ALDH1A1LMNAMEN1KMT2AL3MBTL1
SCHEMBL4138555 0.78 HTT (0.61) ALDH1A1DRD2DRD1DRD4DRD5

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