SCHEMBL6086522

SCHEMBL6086522

COC(=O)c1ccoc1Cn1c(Oc2cc(C)cc(C)c2)c(C(C)C)c(=O)[nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 2/20 0.33
THRB P10828 1/20 0.33
GSK3B P49841 1/20 0.33
LMNA P02545 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
HSD17B10 Q99714 2/20 0.31
GAA P10253 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ALDH1A1 P00352 3/20 0.30
KDM4E B2RXH2 2/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL7852882 0.93 GSK3B (0.31) GSK3B
SCHEMBL6086801 0.86 DRD1 (0.35) SMN1; SMN2MAPTTHRBGSK3BHSD17B10
SCHEMBL6087200 0.84 KMT2A (0.34) SMN1; SMN2MAPTTHRBGSK3BLMNA
SCHEMBL6087839 0.83 MAPT (0.32) SMN1; SMN2MAPTTHRBGSK3BLMNA
SCHEMBL7851704 0.81 GSK3B (0.32) SMN1; SMN2MAPTTHRBGSK3B
SCHEMBL7846777 0.78 SMN1; SMN2 (0.34) SMN1; SMN2MAPTTHRBGSK3BLMNA
SCHEMBL7850530 0.78
SCHEMBL6087128 0.77 TPH1 (0.34) SMN1; SMN2MAPTGAAALDH1A1KDM4E
SCHEMBL6086817 0.76 HPGD (0.43) MAPTHSD17B10GAANPSR1ALDH1A1
SCHEMBL6087134 0.75 MEN1 (0.32) SMN1; SMN2

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-6987114-B1 Antiviral pyrimidinedione derivatives and process for the preparation thereof SAMJIN PHARMACEUTICAL CO., LTD (KR) 2006-01-17 US disclosed