SCHEMBL1786920

SCHEMBL1786920

O=P(Oc1cc(C2CCCC2)cc(C2CCCC2)c1)(Oc1cc(C2CCCC2)cc(C2CCCC2)c1)Oc1cc(C2CCCC2)cc(C2CCCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.43
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
HDAC8 Q9BY41 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
ACMSD Q8TDX5 2/20 0.33
INPPL1 O15357 1/20 0.33
INPP5A Q14642 1/20 0.33
KMO O15229 1/20 0.33
HSP90AA1 P07900 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
EPHX2 P34913 1/20 0.31
DAO P14920 1/20 0.31

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
SCHEMBL1791121 0.98 TDP1 (0.42) CYP3A4TSHRTDP1ALDH1A1MAPK1
SCHEMBL1791124 0.83 HDAC4 (0.47) HDAC8HDAC4HDAC2ACMSDKMO
SCHEMBL29402836 0.82 KMO (0.49) HDAC8HDAC4HDAC2ACMSDKMO
SCHEMBL1787743 0.82 KMO (0.49) HDAC8HDAC4HDAC2ACMSDKMO
SCHEMBL31012115 0.82 KMO (0.49) HDAC8HDAC4HDAC2ACMSDKMO
SCHEMBL1788780 0.82 CYP3A4 (0.47) CYP3A4TSHRTDP1ALDH1A1HDAC8
SCHEMBL1790464 0.80 CYP3A4 (0.45) CYP3A4TSHRTDP1ALDH1A1HDAC8
SCHEMBL16270485 0.78 HAO1 (0.40) TDP1HDAC8HDAC4HDAC2ACMSD
SCHEMBL778085 0.74 HDAC8 (0.43) TDP1HDAC8HDAC1HDAC6HDAC4
SCHEMBL778084 0.71 CYP11B2 (0.46) TDP1HDAC8HDAC1HDAC6HDAC4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2249426-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY MITSUBISHI CHEM CORP (JP) 2019-07-10 EP disclosed
US-9083058-B2 Nonaqueous electrolytic solution and nonaqueous-electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2015-07-14 US disclosed
US-8916298-B2 Nonaqueous electrolytic solution and nonaqueous-electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2014-12-23 US disclosed
US-8889302-B2 Nonaqueous electrolytic solution and nonaqueous-electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2014-11-18 US disclosed
US-8846254-B2 2014-09-30 US disclosed
US-20140134481-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2014-05-15 US disclosed
US-20120308883-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-12-06 US disclosed
US-20120219854-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-30 US disclosed
US-20110123871-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY MITSUBISHI CHEMCIAL (JP) 2011-05-26 US disclosed
EP-2249426-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY Mitsubishi Chemical Corporation (JP) 2010-11-10 EP disclosed