SCHEMBL3627481

SCHEMBL3627481

Cc1cc(C(=O)C=O)ccc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.51
ALDH1A1 P00352 2/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HSD17B1 P14061 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
RARB P10826 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
OXTR P30559 2/20 0.42
AVPR1A P37288 2/20 0.42
AVPR2 P30518 1/20 0.42
AVPR1B P47901 1/20 0.42
LTB4R Q15722 1/20 0.41
EGFR P00533 1/20 0.41
ADH5 P11766 1/20 0.41
SLC2A1 P11166 1/20 0.41
LDHA P00338 1/20 0.41

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
SCHEMBL121338 0.82 ESR2 (0.58) ESR2ALDH1A1HSD17B1L3MBTL1RARB
SCHEMBL29707122 0.82 ESR2 (0.58) ESR2ALDH1A1HSD17B1L3MBTL1RARB
SCHEMBL5608472 0.81 HSD17B1 (0.62) ESR2ALDH1A1HSD17B1L3MBTL1PPARG
Hydrochloric Acid SCHEMBL5753140 0.81 ESR2 (0.56) ESR2ALDH1A1HSD17B1L3MBTL1RARB
SCHEMBL28940687 0.80 ESR2 (0.51) ESR2ALDH1A1HSD17B1L3MBTL1PPARG
SCHEMBL9164912 0.79 ESR2 (0.55) ESR2ALDH1A1HSD17B1L3MBTL1PPARG
SCHEMBL8906586 0.79 ESR2 (0.55) ESR2ALDH1A1HSD17B1L3MBTL1PPARG
SCHEMBL537623 0.79 CNR2 (0.60) ESR2ALDH1A1TDP1HSD17B1L3MBTL1
SCHEMBL2026285 0.79 ESR2 (0.55) ESR2ALDH1A1TDP1HSD17B1L3MBTL1
SCHEMBL9166730 0.77 ESR2 (0.56) ESR2ALDH1A1HSD17B1L3MBTL1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7695863-B2 rechargeable batteries having excellent battery cycle properties, electrical capacity and storage characteristic during charging, comprising electrodes and a nonaqueous electrolytic solution containing a dicarbonyl compound as an additive UBE INDUSTRIES, LTD. (JP) 2010-04-13 US disclosed
US-20080102377-A1 rechargeable batteries having excellent battery cycle properties, electrical capacity and storage characteristic during charging, comprising electrodes and a nonaqueous electrolytic solution containing a dicarbonyl compound as an additive UBE INDUSTRIES, LTD (JP) 2008-05-01 US disclosed