SCHEMBL1791124

SCHEMBL1791124

O=P(Oc1cccc(C2CCCC2)c1)(Oc1cccc(C2CCCC2)c1)Oc1cccc(C2CCCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
KMO O15229 1/20 0.46
HTR2C P28335 2/20 0.45
DRD2 P14416 5/20 0.40
DRD3 P35462 3/20 0.39
SPHK1 Q9NYA1 1/20 0.38
ACHE P22303 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
CYP11B2 P19099 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
SERPINE1 P05121 1/20 0.35

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
SCHEMBL31012115 0.98 KMO (0.49) HDAC4HDAC2HDAC8KMOHTR2C
SCHEMBL1787743 0.98 KMO (0.49) HDAC4HDAC2HDAC8KMOHTR2C
SCHEMBL29402836 0.98 KMO (0.49) HDAC4HDAC2HDAC8KMOHTR2C
SCHEMBL27859967 0.85 KMO (0.50) HDAC4HDAC2HDAC8KMOHTR2C
SCHEMBL1786920 0.83 CYP3A4 (0.43) HDAC4HDAC2HDAC8KMOACMSD
SCHEMBL1791121 0.82 TDP1 (0.42) HDAC4HDAC2HDAC8KMOCYP11B2
SCHEMBL1788780 0.78 CYP3A4 (0.47) HDAC8ACMSD
SCHEMBL778529 0.77 HDAC4 (0.63) HDAC4HDAC2HDAC8KMOHTR2C
SCHEMBL7844832 0.77 HTR2C (0.72) HDAC4HDAC2HDAC8HTR2CDRD2
SCHEMBL1790464 0.77 CYP3A4 (0.45) HDAC8ACMSD

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