SCHEMBL7706649

SCHEMBL7706649

CCc1ccc(-c2cccc3c2CCC3=O)c(OCc2ccc(C(N)=O)cc2)c1OC

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 4/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 3/20 0.37
HPGD P15428 1/20 0.37
PARP1 P09874 1/20 0.37
ATM Q13315 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
MAOB P27338 2/20 0.35
MAPT P10636 1/20 0.35
RXRA P19793 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
PTGER1 P34995 1/20 0.33

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
SCHEMBL7711047 0.91 MRGPRX4 (0.43) ALDH1A1GAAKDM4EHPGDMRGPRX4
SCHEMBL14737152 0.89 ALDH1A1 (0.48) PARP10ALDH1A1KDM4EHPGDPARP1
SCHEMBL7717628 0.85 KCNJ1 (0.38) PARP10ALDH1A1KDM4EPARP1ATM
SCHEMBL7706819 0.84 KDM4E (0.37) ALDH1A1GAAKDM4EHPGDMAOB
SCHEMBL2593760 0.84 KDM4E (0.38) PARP10ALDH1A1KDM4EHPGDPARP1
SCHEMBL2592764 0.80 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDMRGPRX4
SCHEMBL2591335 0.78 KDM4E (0.46) ALDH1A1GAAKDM4EHPGDATM
SCHEMBL2591657 0.78 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDATMMRGPRX4
SCHEMBL7717394 0.77 ALDH1A1 (0.39) ALDH1A1GAAKDM4EHPGDMRGPRX4
SCHEMBL7713141 0.76 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