SCHEMBL904825

SCHEMBL904825

CC(C)C(C)n1c(=O)[nH]c2ccccc21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.74
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
DAO P14920 1/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
KMT2A Q03164 1/20 0.50
PGR P06401 4/20 0.43
OPRM1 P35372 1/20 0.42
PSMB8 P28062 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
B3GNT2 Q9NY97 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
AURKA O14965 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL30838374 0.85 POLB (1.00) POLBALDH1A1HPGDDAOMEN1
SCHEMBL828232 0.85 POLB (1.00) POLBALDH1A1HPGDDAOMEN1
SCHEMBL10833903 0.83 POLB (0.70) POLBALDH1A1HPGDDAOMEN1
SCHEMBL10736441 0.82 POLB (0.74) POLBALDH1A1HPGDDAOMEN1
SCHEMBL7017890 0.82 POLB (0.74) POLBALDH1A1HPGDDAOMEN1
SCHEMBL7443237 0.79 POLB (0.70) POLBALDH1A1HPGDDAOMEN1
SCHEMBL14828721 0.79 POLB (0.70) POLBALDH1A1HPGDDAOMEN1
SCHEMBL7513143 0.78 POLB (0.68) POLBALDH1A1HPGDDAOMEN1
SCHEMBL23997201 0.78 POLB (0.68) POLBALDH1A1HPGDDAOMEN1
SCHEMBL30336952 0.78 POLB (0.68) POLBALDH1A1HPGDDAOMEN1

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-2011143444-A2 DIPHENYLBUTYPIPERIDINE AUTOPHAGY INDUCERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-11-17 WO disclosed