SCHEMBL11178702

SCHEMBL11178702

C/C=C/Cn1c(=O)n(C/C=C/C)c(=O)n(CCCCn2c(=O)n(C/C=C/C)c(=O)n(C/C=C/C)c2=O)c1=O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
MAPK1 P28482 3/20 0.40
CYP3A4 P08684 1/20 0.39
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
APEX1 P27695 1/20 0.31
PLA2G4A P47712 1/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
RGS4 P49798 1/20 0.31

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
SCHEMBL11174859 0.98 GAA (0.44) GAAMAPK1CYP3A4NPSR1ALDH1A1
SCHEMBL11177882 0.98 GAA (0.44) GAAMAPK1CYP3A4NPSR1ALDH1A1
SCHEMBL11182708 0.91 GAA (0.44) GAAMAPK1CYP3A4NPSR1ALDH1A1
SCHEMBL26048313 0.82 GAA (0.38) GAAMAPK1CYP3A4ALDH1A1KDM4E
SCHEMBL11178767 0.82 GAA (0.39) GAAMAPK1CYP3A4NPSR1ALDH1A1
SCHEMBL28130251 0.80 GAA (0.50) GAAMAPK1CYP3A4ALDH1A1KDM4E
SCHEMBL17059128 0.75 GAA (0.34) GAACYP3A4NPSR1APEX1
SCHEMBL10804048 0.73 CYP3A4 (0.76) GAACYP3A4NPSR1KDM4EHPGD
SCHEMBL18106835 0.71 CYP3A4 (0.73) GAAMAPK1CYP3A4NPSR1KDM4E
SCHEMBL10960758 0.71 CYP3A4 (0.73) GAAMAPK1CYP3A4NPSR1KDM4E

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
US-4369207-A PHOTOPOLYMERIZING TEIJIN LIMITED (JP) 1983-01-18 US claimed