SCHEMBL1790736

SCHEMBL1790736

CC(C)(C)c1cc(OP(=O)(Oc2cc(C(C)(C)C)cc(C(C)(C)C)c2)Oc2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.52
TSHR P16473 2/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
HMGCR P04035 3/20 0.40
INPPL1 O15357 1/20 0.36
INPP5A Q14642 1/20 0.36
POLB P06746 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL27541915 0.83 INPPL1 (0.60) GABRA1GABRB2HMGCRINPPL1INPP5A
SCHEMBL1786941 0.79 SOD1 (0.45) CYP3A4TSHRALDH1A1MAPK1TDP1
SCHEMBL1789781 0.79 MAPK1 (0.45) CYP3A4TSHRALDH1A1MAPK1TDP1
SCHEMBL190945 0.77 TSHR (0.58) CYP3A4TSHRALDH1A1MAPK1TDP1
SCHEMBL4624141 0.76 TSHR (0.56) CYP3A4TSHRALDH1A1MAPK1TDP1
SCHEMBL10089250 0.76 GABRA1 (0.39) GABRA1GABRB2HMGCRPOLBGAA
SCHEMBL1787920 0.75 L3MBTL1 (0.45) CYP3A4TSHRMAPK1TDP1POLB
SCHEMBL3396886 0.75 L3MBTL1 (0.45) CYP3A4TSHRMAPK1TDP1POLB
SCHEMBL5608915 0.74 ALDH1A1 (0.34) CYP3A4TSHRALDH1A1MAPK1TDP1
SCHEMBL5862979 0.74 ALDH1A1 (0.49) ALDH1A1TDP1POLBMAPT

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