SCHEMBL7712484

SCHEMBL7712484

CCc1ccc(-c2cccc3c2CCC3=O)c(OCC2(CNC(=O)COC)COC2)c1OC

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL2592410 0.91 KDM4E (0.42) ALDH1A1GAAKDM4EHPGDMAPT
SCHEMBL7716014 0.84 ALDH1A1 (0.36) ALDH1A1GAAKDM4EHPGD
SCHEMBL2589069 0.84 ALDH1A1 (0.42) ALDH1A1GAAKDM4EHPGD
SCHEMBL7709625 0.82 ALDH1A1 (0.41) ALDH1A1GAAKDM4EHPGD
SCHEMBL2582107 0.81 KDM4E (0.44) ALDH1A1KDM4EHPGDMAPT
SCHEMBL2588550 0.80 ALDH1A1 (0.42) ALDH1A1GAAKDM4EHPGD
SCHEMBL2590820 0.80 ALDH1A1 (0.42) ALDH1A1GAAKDM4EHPGD
SCHEMBL7705939 0.80 ALDH1A1 (0.40) ALDH1A1GAAKDM4EHPGD
SCHEMBL2583987 0.79 ALDH1A1 (0.40) ALDH1A1GAAKDM4EHPGD
SCHEMBL2593173 0.77 ALDH1A1 (0.40) ALDH1A1GAAKDM4EHPGD

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
WO-2011134468-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2011-11-03 WO disclosed