SCHEMBL2880147

SCHEMBL2880147

C=CCOc1ccccc1NC(=O)C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
LIG1 P18858 1/20 0.51
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
BRD4 O60885 1/20 0.44
KCNH2 Q12809 1/20 0.44
LMNA P02545 2/20 0.44
MCL1 Q07820 1/20 0.44
TSHR P16473 2/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
EGFR P00533 1/20 0.43
SLC22A1 O15245 1/20 0.43
CYP1A2 P05177 1/20 0.43
ADRB2 P07550 1/20 0.43

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
SCHEMBL10631908 0.85 BRD4 (0.61) POLBLIG1ALDH1A1GAAKDM4E
SCHEMBL30428722 0.85 BRD4 (0.61) POLBLIG1ALDH1A1GAAKDM4E
SCHEMBL10745183 0.83 POLB (0.55) POLBLIG1ALDH1A1GAAKDM4E
SCHEMBL9790155 0.81 GAA (0.69) POLBALDH1A1GAAKDM4ENPC1
SCHEMBL20037048 0.81 POLB (0.59) POLBLIG1ALDH1A1GAANPC1
SCHEMBL18415551 0.79 POLB (0.62) POLBALDH1A1GAAKDM4ENPC1
SCHEMBL14019905 0.79 GAA (0.50) POLBLIG1ALDH1A1GAAKDM4E
SCHEMBL11781967 0.78 ALDH1A1 (0.61) POLBLIG1ALDH1A1GAASMN1; SMN2
SCHEMBL7303695 0.76 NPC1 (0.54) POLBLIG1ALDH1A1GAANPC1
SCHEMBL13345411 0.76 POLB (0.44) POLBLIG1ALDH1A1GAAKDM4E

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-2010043866-A2 HISTONE LYSINE DEMETHYLASE INHIBITORS ISIS INNOVATION LIMITED (GB) 2010-04-22 WO disclosed