SCHEMBL11077979

SCHEMBL11077979

COc1ccc(OC(C)=O)c2cccc(O)c12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.63
GAA P10253 2/20 0.63
ALDH1A1 P00352 4/20 0.51
ESR1 P03372 2/20 0.49
ESR2 Q92731 2/20 0.49
LMNA P02545 3/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAOA P21397 1/20 0.44
PPARG P37231 1/20 0.44
TSHR P16473 2/20 0.44
KDM4E B2RXH2 2/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL3174222 0.92 MAPT (0.55) MAPTGAAALDH1A1ESR1ESR2
SCHEMBL28545151 0.83 MAPT (0.54) MAPTGAAALDH1A1ESR1LMNA
Acetic Acid SCHEMBL28545152 0.82 MAPT (0.65) MAPTGAAALDH1A1ESR1ESR2
SCHEMBL2024527 0.79 MAPT (0.61) MAPTGAAALDH1A1ESR1ESR2
SCHEMBL11207630 0.79 ESR1 (0.53) MAPTGAAALDH1A1ESR1ESR2
SCHEMBL31116643 0.79 MAPT (0.60) MAPTGAAALDH1A1LMNAHTT
SCHEMBL2024967 0.79 MAPT (0.60) MAPTGAAALDH1A1LMNAHTT
SCHEMBL9195639 0.79 HTT (0.54) MAPTGAAALDH1A1ESR1ESR2
SCHEMBL24194100 0.78 MAPT (0.50) MAPTGAAALDH1A1ESR1ESR2
SCHEMBL31315023 0.78 MAPT (0.50) MAPTGAAALDH1A1ESR1ESR2

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-4460681-A COLOR FORMING LAYERS, AND SOLVENT SOLUBLE BARRIE LAYERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-07-17 US disclosed