SCHEMBL10691039

SCHEMBL10691039

C=CCOC(=O)CCc1cc(C(C)(C)C)c(O)cc1C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALOX15 P16050 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
ATP2A2 P16615 1/20 0.40
ATP2A3 Q93084 1/20 0.40
TSHR P16473 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
PKM P14618 1/20 0.36
HPGD P15428 2/20 0.36
CYP3A4 P08684 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
APP P05067 2/20 0.34
HSD17B10 Q99714 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL2136221 0.86 GAA (0.50) GAAALDH1A1SMN1; SMN2ALOX15KDM4E
SCHEMBL6767978 0.82 GAA (0.51) GAAALDH1A1SMN1; SMN2ALOX15KDM4E
SCHEMBL10704454 0.81 GAA (0.50) GAAALDH1A1SMN1; SMN2ALOX15KDM4E
SCHEMBL9713873 0.81 APP (0.48) GAAALDH1A1SMN1; SMN2ALOX15TSHR
SCHEMBL3465052 0.80 GAA (0.54) GAAALDH1A1SMN1; SMN2ALOX15KDM4E
SCHEMBL29288496 0.80 TSHR (0.36) GAAALDH1A1SMN1; SMN2KDM4ETSHR
SCHEMBL89135 0.80 PKM (0.38) GAAALDH1A1SMN1; SMN2KDM4ETSHR
SCHEMBL8772913 0.80 TSHR (0.38) GAAALDH1A1SMN1; SMN2CYP1A2TSHR
SCHEMBL175628 0.78 GAA (0.52) GAAALDH1A1SMN1; SMN2ALOX15CYP1A2
SCHEMBL10749478 0.77 GAA (0.46) GAAALDH1A1

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
EP-0174277-B1 ANTI-OXIDANT COMPOSITONS FOR ORGANIC MATERIAL CIBA-GEIGY AG (CH) 1988-04-06 EP disclosed
EP-0174277-A1 Anti-oxidant compositons for organic material CIBA-GEIGY AG (CH) 1986-03-12 EP disclosed