SCHEMBL1789783

SCHEMBL1789783

CC(C)(C)c1cccc(C(OP(=O)(O)O)c2cccc(C(C)(C)C)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.41
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
ACP3 P15309 2/20 0.41
ACHE P22303 3/20 0.41
PGK1 P00558 6/20 0.40
PGK2 P07205 6/20 0.40
PTPN5 P54829 3/20 0.38
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC3 O15379 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36

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
SCHEMBL1789782 0.87 HDAC8 (0.40) HDAC8HDAC4HDAC2ACP3ACHE
SCHEMBL29108863 0.83 HMGCR (0.41) HDAC8PGK1PGK2RXRARXRB
SCHEMBL25241826 0.81 HMGCR (0.41) PGK1PGK2RXRARXRBHDAC6
SCHEMBL20299555 0.81 HMGCR (0.41) PGK1PGK2RXRARXRBHDAC6
SCHEMBL19858472 0.81 HMGCR (0.41) PGK1PGK2RXRARXRBHDAC6
SCHEMBL20299546 0.81 HMGCR (0.41) PGK1PGK2RXRARXRBHDAC6
SCHEMBL1789997 0.80 NR1H4 (0.41) PGK1PGK2PTPN5
SCHEMBL1789857 0.77 ACP3 (0.41) HDAC8HDAC4HDAC2ACP3ACHE
SCHEMBL25926055 0.77 ACP3 (0.46) HDAC8HDAC4HDAC2ACP3ACHE
Phosphoric Acid SCHEMBL28929945 0.74 HDAC8 (0.55) HDAC8HDAC4HDAC2ACHEPGK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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