SCHEMBL11567237

SCHEMBL11567237

COC(=O)CC(=O)c1ccc(C2CCCCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.66
ALDH1A1 P00352 5/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
MAPT P10636 3/20 0.58
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC1 Q13547 1/20 0.53
BCL2L1 Q07817 2/20 0.48
MCL1 Q07820 2/20 0.48
DEGS1 O15121 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
LMNA P02545 4/20 0.47
RAD52 P43351 1/20 0.47
PGR P06401 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 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
SCHEMBL4031356 0.87 HAO1 (0.61) HAO1ALDH1A1SMN1; SMN2MAPTHDAC8
SCHEMBL2354500 0.86 HAO1 (0.64) HAO1ALDH1A1SMN1; SMN2MAPTHDAC8
SCHEMBL11218955 0.85 HAO1 (0.71) HAO1ALDH1A1SMN1; SMN2MAPTHDAC8
SCHEMBL28606431 0.83 ALDH1A1 (0.67) HAO1ALDH1A1SMN1; SMN2MAPTHDAC8
SCHEMBL9352992 0.82 HAO1 (0.77) HAO1ALDH1A1SMN1; SMN2MAPTHDAC8
SCHEMBL1790000 0.80 ALDH1A1 (0.59) HAO1ALDH1A1SMN1; SMN2MAPTHDAC8
SCHEMBL9788805 0.80 HAO1 (0.64) HAO1ALDH1A1SMN1; SMN2MAPTHDAC8
SCHEMBL9356350 0.80 HAO1 (0.73) HAO1ALDH1A1SMN1; SMN2MAPTHDAC8
SCHEMBL2944396 0.80 ALDH1A1 (0.59) HAO1ALDH1A1SMN1; SMN2MAPTHDAC8
SCHEMBL27832625 0.80 HAO1 (0.64) HAO1ALDH1A1SMN1; SMN2MAPTHDAC8

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-0000644-A2 Lower cycloalkyl substituted-benzene derivatives, the preparation thereof and their pharmaceutical compositions FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1979-02-07 EP disclosed