SCHEMBL5164338

SCHEMBL5164338

COC(=O)C=Cc1cc(OC(C)=O)c(C#N)c(C#N)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
EPHX2 P34913 1/20 0.37
TTR P02766 1/20 0.37
APP P05067 1/20 0.37
JAK2 O60674 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA12 O43570 1/20 0.36

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
SCHEMBL5164333 1.00 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EMEN1TP53
SCHEMBL5163331 0.82 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EMEN1TP53
SCHEMBL5163324 0.82 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EMEN1TP53
SCHEMBL5163385 0.72 TTR (0.43) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL7534360 0.70 TNFSF11 (0.47) ALDH1A1MAPTKDM4EMEN1TP53
SCHEMBL7534362 0.70 TNFSF11 (0.47) ALDH1A1MAPTKDM4EMEN1TP53
SCHEMBL23591532 0.69 KDM4E (0.57) ALDH1A1MAPTKDM4EMEN1TP53
SCHEMBL30453685 0.67 KDM4E (0.46) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL336624 0.67 KDM4E (0.46) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL1823414 0.67 FDPS (0.43) ALDH1A1MAPTKDM4EMEN1TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758850-A1 PREPARATION AND APPLICATIONS OF POLYMER-SUPPORTED HALOGENATED BENZOQUINONES AS OXIDATIVE AGENTS COULADOUROS, Elias, Andrea (GR) 2007-03-07 EP disclosed
WO-2005121077-A1 PREPARATION AND APPLICATIONS OF POLYMER-SUPPORTED HALOGENATED BENZOQUINONES AS OXIDATIVE AGENTS COULADOUROS ELIAS (GR) 2005-12-22 WO disclosed