SCHEMBL2946388

SCHEMBL2946388

CCC(=CC=CC(=O)O)C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
ALOX15 P16050 2/20 0.41
RECQL P46063 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
HCAR2 Q8TDS4 7/20 0.39
PTPN1 P18031 2/20 0.37
TSHR P16473 1/20 0.35
PPARA Q07869 1/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
EGLN1 Q9GZT9 1/20 0.31
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30

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 0.85 ALDH1A1 (0.39) ALDH1A1ALOX15RECQLHSD17B10TDP1
SCHEMBL2944087 0.82 PTPN1 (0.43) ALDH1A1ALOX15RECQLHSD17B10TDP1
SCHEMBL1070486 0.80 GRIK1 (0.38) ALDH1A1
SCHEMBL746446 0.79 PTPN1 (0.41) ALDH1A1ALOX15RECQLHSD17B10TDP1
SCHEMBL7767062 0.75 KDM4E (0.43) ALDH1A1KDM4EMAPTHCAR2TSHR
SCHEMBL7771247 0.75 KDM4E (0.43) ALDH1A1KDM4EMAPTHCAR2TSHR
SCHEMBL555080 0.75 KDM4E (0.43) ALDH1A1KDM4EMAPTHCAR2TSHR
SCHEMBL15382636 0.74 ALDH1A1 (0.36) ALDH1A1TSHREGLN1
SCHEMBL1905112 0.74 ALDH1A1 (0.48) ALDH1A1ALOX15RECQLHSD17B10TDP1
SCHEMBL19354637 0.74 ALDH1A1 (0.31) ALDH1A1EGLN1

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