SCHEMBL8210871

SCHEMBL8210871

CCOC(=O)COc1ccc(CCOS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.60
GAA P10253 2/20 0.60
POLB P06746 1/20 0.53
TSHR P16473 5/20 0.49
ALDH1A1 P00352 2/20 0.49
TP53 P04637 1/20 0.49
ALOX15 P16050 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ATM Q13315 1/20 0.47
MAPK1 P28482 1/20 0.44
ENPP1 P22413 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
SCHEMBL3680514 0.93 NPSR1 (0.57) NPSR1GAAPOLBTSHRALDH1A1
SCHEMBL10860507 0.89 ALDH1A1 (0.49) NPSR1GAAPOLBTSHRALDH1A1
SCHEMBL26813621 0.85 CYP1A2 (0.48) GAAPOLBTSHRALDH1A1ENPP1
SCHEMBL6374518 0.84 GAA (0.59) NPSR1GAAPOLBTSHRALDH1A1
SCHEMBL6814867 0.82 ALDH1A1 (0.49) NPSR1GAAPOLBALDH1A1SMN1; SMN2
SCHEMBL10939470 0.82 ALDH1A1 (0.47) NPSR1GAAPOLBALDH1A1SMN1; SMN2
SCHEMBL6906905 0.80 CA1 (0.50) GAAALDH1A1ENPP1
SCHEMBL18289524 0.80 CA1 (0.50) GAAALDH1A1ENPP1
SCHEMBL11372605 0.80 ALDH1A1 (0.67) NPSR1GAAPOLBTSHRALDH1A1
SCHEMBL3684459 0.79 PPARA (0.51) TSHRENPP1

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
EP-0999205-A1 AMINOCYCLOALKANE COMPOUNDS Mitsubishi-Tokyo Pharmaceuticals, Inc. (JP) 2000-05-10 EP disclosed