SCHEMBL2944087

SCHEMBL2944087

CCCCC(=CC=CC(=O)O)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.43
ACHE P22303 1/20 0.42
BACE1 P56817 1/20 0.42
HCAR2 Q8TDS4 5/20 0.39
ALDH1A1 P00352 2/20 0.37
ALOX15 P16050 1/20 0.37
RECQL P46063 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.36
POLA1 P09884 1/20 0.36
APEX1 P27695 1/20 0.35
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
TRPA1 O75762 1/20 0.33
TSHR P16473 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
SCHEMBL2946076 0.90 ALDH1A1 (0.39) PTPN1ACHEBACE1HCAR2ALDH1A1
SCHEMBL20564570 0.84 HCAR2 (0.51) PTPN1ACHEBACE1HCAR2ALDH1A1
SCHEMBL1031366 0.82 PTPN1 (0.47) PTPN1ACHEBACE1HCAR2ALDH1A1
SCHEMBL2946388 0.82 ALDH1A1 (0.41) PTPN1ACHEBACE1HCAR2ALDH1A1
SCHEMBL555291 0.79 APEX1 (0.39) PTPN1HCAR2ALDH1A1ALOX15HSD17B10
Crotonic Acid SCHEMBL28220783 0.78 HCAR2 (0.37) ACHEBACE1HCAR2POLBPOLA1
SCHEMBL11410302 0.77 CES1 (0.37) ALDH1A1POLBPOLA1APEX1CES2
SCHEMBL1034581 0.76 CES1 (0.42) ALDH1A1POLBPOLA1APEX1CES2
SCHEMBL9068911 0.76 CES1 (0.42) ALDH1A1POLBPOLA1APEX1CES2
SCHEMBL9517634 0.76 PTPN1 (0.53) PTPN1ACHEBACE1ALDH1A1ALOX15

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