SCHEMBL7717628

SCHEMBL7717628

CCc1ccc(-c2cccc3c2COC3=O)c(OCc2ccc(C(N)=O)cc2)c1OC

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 3/20 0.38
KCNH2 Q12809 2/20 0.38
PARP10 Q53GL7 4/20 0.38
PARP1 P09874 1/20 0.36
PRF1 P14222 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MAOB P27338 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
RXRA P19793 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ATM Q13315 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
SCHEMBL14737971 0.89 KMT2A (0.40) PARP10PARP1PRF1KDM4EMAOB
SCHEMBL7706649 0.85 PARP10 (0.38) PARP10PARP1KDM4EMAOBALDH1A1
SCHEMBL7711040 0.78 NPC1 (0.42) KDM4EMAOBALDH1A1MAPTRXRA
SCHEMBL14737290 0.78 ALDH1A1 (0.40) PRF1KDM4EALDH1A1MAPTKMT2A
SCHEMBL7711047 0.77 MRGPRX4 (0.43) KDM4EALDH1A1
SCHEMBL14737152 0.74 ALDH1A1 (0.48) PARP10PARP1KDM4EALDH1A1MAPT
SCHEMBL2591613 0.73 MAOB (0.39) KDM4EMAOB
SCHEMBL14737128 0.72 PRF1 (0.51) PRF1MAOB
SCHEMBL7713063 0.72 PRF1 (0.53) PRF1KDM4EMAOBMAPT
SCHEMBL7714344 0.70 PRF1 (0.53) PRF1MAOB

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