SCHEMBL8036053

SCHEMBL8036053

C=C(C)C(=O)CCCCCCOc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(C)cc3C)n2)c(O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
MAOB P27338 3/20 0.36
CNR2 P34972 10/20 0.36
CNR1 P21554 4/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL30887155 0.88 POLB (0.52) POLBAPEX1HTTTDP1PPARG
SCHEMBL8385683 0.88 POLB (0.52) POLBAPEX1HTTTDP1PPARG
SCHEMBL13228152 0.86 MAPT (0.41) POLBHTTTDP1GAAKDM4E
SCHEMBL30887231 0.83 HTT (0.43) POLBAPEX1HTTTDP1GAA
SCHEMBL8383168 0.83 HTT (0.43) POLBAPEX1HTTTDP1GAA
SCHEMBL78927 0.82 NR5A1 (0.49) CNR2GAAMEN1TP53MAPT
SCHEMBL45412 0.82 NR5A1 (0.49) CNR2GAAMEN1TP53MAPT
SCHEMBL22216823 0.82 NR5A1 (0.49) CNR2GAAMEN1TP53MAPT
SCHEMBL6552608 0.82 PDK2 (0.39) GAAMEN1TP53MAPTMAPK1
SCHEMBL8382204 0.82 PDK2 (0.39) GAAMEN1TP53MAPTMAPK1

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
EP-0982356-A2 Improved stabilized coatings Clariant Finance (BVI) Limited (VG) 2000-03-01 EP disclosed