SCHEMBL7920096

SCHEMBL7920096

COC(=O)C1=C(C)OC(C)=C(C(=O)OC)C1c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.66
HSD17B10 Q99714 2/20 0.66
ADORA3 P0DMS8 1/20 0.56
POLB P06746 1/20 0.54
CACNA1F O60840 1/20 0.51
CACNA1D Q01668 1/20 0.51
CACNA1S Q13698 1/20 0.51
CACNA1C Q13936 1/20 0.51
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
MAPT P10636 1/20 0.48
TSHR P16473 3/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL8024613 0.83 ALDH1A1 (0.67) ALDH1A1HSD17B10ADORA3MAPTTSHR
SCHEMBL8562068 0.83 HPGD (0.66) ALDH1A1HSD17B10POLBCACNA1FCACNA1D
SCHEMBL8394358 0.80 ALDH1A1 (1.00) ALDH1A1HSD17B10POLBMAPTTSHR
SCHEMBL15322914 0.80 MAPT (0.46) ALDH1A1HSD17B10ADORA3POLBCACNA1D
SCHEMBL3905675 0.79 ADORA3 (0.83) ALDH1A1HSD17B10ADORA3POLBCACNA1F
SCHEMBL5363492 0.78 TSHR (0.74) ALDH1A1HSD17B10ADORA3POLBTSHR
SCHEMBL14407560 0.77 ALDH1A1 (0.61) ALDH1A1HSD17B10MAPTTSHRMEN1
SCHEMBL8561209 0.76 ABCC1 (0.63) ALDH1A1HSD17B10ADORA3POLBCACNA1F
SCHEMBL9088494 0.76 ADORA3 (0.76) ALDH1A1HSD17B10ADORA3POLBCACNA1F
SCHEMBL6951320 0.76 ADORA3 (0.76) ALDH1A1HSD17B10ADORA3POLBCACNA1F

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
US-6221550-B1 IMPROVES THE CHARGING CHARACTERISTICS OF A TONER, SO THAT THE TONER QUICKLY CHARGES TO A NEGATIVE VALUE THAT IS THEN SUBSTANTIALLY MAINTAINED NEXPRESS SOLUTIONS LLC 2001-04-24 US disclosed