SCHEMBL8710128

SCHEMBL8710128

COc1ccc(-c2ccc(CCOS(=O)(=O)c3ccc(C)cc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51
HTT P42858 2/20 0.47
EGFR P00533 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAOB P27338 2/20 0.46
MAPT P10636 1/20 0.44
FKBP1A P62942 1/20 0.44
KDM4E B2RXH2 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
CYP24A1 Q07973 1/20 0.42

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
SCHEMBL6803332 0.96 ALDH1A1 (0.55) ALDH1A1BCHEACHEHTTEGFR
SCHEMBL8780852 0.87 FKBP1A (0.53) ALDH1A1BCHEACHEHTTEGFR
SCHEMBL6906905 0.87 CA1 (0.50) ALDH1A1CNR2
SCHEMBL18289524 0.87 CA1 (0.50) ALDH1A1CNR2
SCHEMBL2333789 0.86 ALDH1A1 (0.51) ALDH1A1BCHEACHEHTTEGFR
SCHEMBL26338334 0.86 UCHL1 (0.44) ALDH1A1HTTMAPTKDM4ECNR2
SCHEMBL7987906 0.84 GAA (0.52) ALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL6965012 0.82 ALDH1A1 (0.52) ALDH1A1BCHEACHEHTTEGFR
SCHEMBL5870597 0.81 ALDH1A1 (0.57) ALDH1A1BCHEACHEHTTEGFR
SCHEMBL31145709 0.81 ALDH1A1 (0.54) ALDH1A1BCHEACHEHTTEGFR

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-5849217-A Optically active compound, liquid crystal composition containing the same, liquid crystal device using the same, liquid crystal apparatus and display method CANON KABUSHIKI KAISHA (JP) 1998-12-15 US disclosed