SCHEMBL2946076

SCHEMBL2946076

CCCC(=CC=CC(=O)O)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 2/20 0.39
RECQL P46063 2/20 0.39
HSD17B10 Q99714 2/20 0.39
PTPN1 P18031 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
HCAR2 Q8TDS4 6/20 0.36
TSHR P16473 1/20 0.33
FFAR3 O14843 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
PPARA Q07869 1/20 0.32
POLB P06746 1/20 0.31
POLA1 P09884 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
SCHEMBL2944087 0.90 PTPN1 (0.43) ALDH1A1ALOX15RECQLHSD17B10PTPN1
SCHEMBL2946388 0.85 ALDH1A1 (0.41) ALDH1A1ALOX15RECQLHSD17B10PTPN1
SCHEMBL20564437 0.83 HCAR2 (0.49) ALDH1A1ALOX15RECQLHSD17B10PTPN1
SCHEMBL29275514 0.81 GRIK1 (0.36) ALDH1A1TSHRFFAR3HDAC3HDAC1
SCHEMBL25919612 0.80 CTSD (0.33) ALDH1A1RECQLHDAC3HDAC1HDAC2
SCHEMBL555676 0.77 TSHR (0.40) ALDH1A1KDM4EMAPTACHEHCAR2
SCHEMBL27781720 0.76 ALDH1A1 (0.33) ALDH1A1TSHRFFAR3HDAC3HDAC1
SCHEMBL12156789 0.76 ALDH1A1 (0.33) ALDH1A1TSHRFFAR3HDAC3HDAC1
SCHEMBL9410921 0.74 ALDH1A1 (0.39) ALDH1A1HCAR2TSHRFFAR3HDAC3
SCHEMBL20564570 0.73 HCAR2 (0.51) ALDH1A1PTPN1KDM4EMAPTACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7727677-B2 Nonaqueous electrolyte solution and lithium secondary battery using same UBE INDUSTRIES, LTD. (JP) 2010-06-01 US disclosed
EP-1758198-B1 NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME UBE INDUSTRIES (JP) 2009-07-08 EP disclosed
US-20080038644-A1 Nonaques Electrolyte Solution And Lithium Secondary Battery Using Same UBE INDUSTRIES, LTD. (JP) 2008-02-14 US disclosed
EP-1758198-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME Ube Industries, Ltd. (JP) 2007-02-28 EP disclosed