SCHEMBL10179877

SCHEMBL10179877

O=S(=O)(Oc1ccc(C2CCCCC2)cc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 7/20 0.58
ENPP1 P22413 6/20 0.58
ENPP2 Q13822 5/20 0.58
TDP1 Q9NUW8 2/20 0.54
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MAOB P27338 1/20 0.47
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
PTGES2 Q9H7Z7 1/20 0.43
THRB P10828 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL10180650 0.98 ENPP3 (0.57) ENPP3ENPP1ENPP2TDP1ALDH1A1
SCHEMBL9958363 0.85 ENPP3 (0.60) ENPP3ENPP1ENPP2ALDH1A1LMNA
SCHEMBL10180590 0.84 ALDH1A1 (0.57) ENPP3ENPP1ENPP2TDP1ALDH1A1
SCHEMBL10181538 0.83 ENPP3 (0.59) ENPP3ENPP1ENPP2ALDH1A1LMNA
SCHEMBL10179809 0.82 ALDH1A1 (0.59) ENPP3ENPP1ENPP2TDP1ALDH1A1
SCHEMBL10654710 0.79 LMNA (0.43) ENPP3ENPP1ENPP2ALDH1A1LMNA
SCHEMBL10736320 0.79 LMNA (0.43) ENPP3ENPP1ENPP2ALDH1A1LMNA
SCHEMBL10175579 0.78 LMNA (0.56) ALDH1A1LMNAHTTKDM4EMAPK1
SCHEMBL8306482 0.78 LMNA (0.60) ALDH1A1LMNAHTTKDM4EMAPK1
SCHEMBL10179641 0.78 KMT2A (0.61) ENPP3ENPP1ENPP2LMNAHTT

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