SCHEMBL26520508

SCHEMBL26520508

C#CC(C)(C)OC(=O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.68
TDP1 Q9NUW8 6/20 0.50
TSHR P16473 4/20 0.50
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP2D6 P10635 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 3/20 0.47
F2 P00734 1/20 0.47
MAPT P10636 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.43
HIF1A Q16665 1/20 0.43
SLC6A3 Q01959 2/20 0.40
HTR1A P08908 1/20 0.40
SCN1A P35498 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN2A Q99250 1/20 0.40

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
SCHEMBL1784412 0.85 TDP1 (0.53) ELANETDP1TSHRALDH1A1HSD17B10
SCHEMBL27630836 0.83 TDP1 (0.52) ELANETDP1TSHRALDH1A1HSD17B10
SCHEMBL2833508 0.82 ELANE (0.69) ELANECYP1A2MAPTMAPK1ADRB2
SCHEMBL7277139 0.82 ELANE (0.47) ELANETDP1TSHRALDH1A1HSD17B10
SCHEMBL1786261 0.82 TSHR (0.59) ELANETDP1TSHRALDH1A1HSD17B10
SCHEMBL20502674 0.81 TDP1 (0.50) ELANETDP1TSHRALDH1A1HSD17B10
SCHEMBL27674224 0.81 ELANE (0.46) ELANETDP1TSHRALDH1A1HSD17B10
SCHEMBL30884136 0.80 ALDH1A1 (0.57) ELANETDP1ALDH1A1CYP1A2LMNA
SCHEMBL2833412 0.80 ELANE (0.54) ELANEALDH1A1LMNAADRB2ADRB1
SCHEMBL11324290 0.80 ELANE (0.61) ELANETDP1ALDH1A1HSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110010882-A NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME 三菱化学株式会社 2019-07-12 CN disclosed