SCHEMBL7410935

SCHEMBL7410935

COc1cc(OC(C)=O)c(C(=O)c2ccc(Cl)cc2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.62
MAPT P10636 5/20 0.54
TSHR P16473 2/20 0.53
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TNFSF11 O14788 1/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.49
CNR1 P21554 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 1/20 0.46
NPC1 O15118 1/20 0.45
CYP3A4 P08684 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.44

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
SCHEMBL7412522 0.86 MAPT (0.48) POLBMAPTTSHRHTTNPSR1
SCHEMBL6617275 0.85 TSHR (0.53) POLBMAPTTSHRHTTNPSR1
SCHEMBL6615739 0.85 KMT2A (0.54) POLBMAPTTSHRHTTNPSR1
SCHEMBL6611954 0.84 MAPT (0.63) MAPTTSHRHTTNPSR1TNFSF11
SCHEMBL7402812 0.84 MAPT (0.56) POLBMAPTTSHRTNFSF11RAB9A
SCHEMBL7411516 0.82 TSHR (0.54) POLBMAPTTSHRHTTNPSR1
SCHEMBL7407945 0.82 TSHR (0.50) MAPTTSHRHTTNPSR1TNFSF11
SCHEMBL7411615 0.80 MAPT (0.51) POLBMAPTTSHRHTTNPSR1
SCHEMBL2394192 0.80 POLB (0.60) POLBMAPTHTTNPSR1HPGD
SCHEMBL29229971 0.80 POLB (0.64) POLBMAPTHTTNPSR1HPGD

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-2002088096-A1 COMPOUNDS INHIBITING CYCLIC NUCLEOTIDE PHOSPHODIESTERASES, PREPARATION AND USES THEREOF NEURO3D (FR) 2002-11-07 WO disclosed