SCHEMBL8915668

SCHEMBL8915668

COc1ccccc1Cn1c(=O)n(CC(=O)O)c(=O)c2c(-c3ccc4ccccc4n3)c(C(=O)OCC(C)C)c(C(C)C)nc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.37
HIF1A Q16665 1/20 0.37
MAPT P10636 3/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.35
ALDH1A1 P00352 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
USP2 O75604 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GNRHR P30968 2/20 0.33
TP53 P04637 1/20 0.33
SLC10A2 Q12908 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
CASP1 P29466 1/20 0.33

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
SCHEMBL7511671 0.91 HDAC6 (0.39) HDAC6HIF1AMAPTPTGDR2ALDH1A1
SCHEMBL7506489 0.90 PTGDR2 (0.35) HDAC6HIF1AMAPTPTGDR2ALDH1A1
SCHEMBL8914836 0.84 PTGDR2 (0.38) PTGDR2MEN1KMT2A
SCHEMBL7512664 0.80 SLC10A2 (0.43) MAPTALDH1A1NPSR1USP2GNRHR
SCHEMBL7574883 0.79 PTGDR2 (0.40) HDAC6HIF1AMAPTPTGDR2ALDH1A1
SCHEMBL7511306 0.78 MAPT (0.38) HDAC6HIF1AMAPTPTGDR2ALDH1A1
SCHEMBL7516884 0.77 FEN1 (0.37) HDAC6HIF1AMAPTALDH1A1NPSR1
SCHEMBL7571890 0.75 LMNA (0.36) MAPTALDH1A1NPSR1USP2MEN1
SCHEMBL8923924 0.75 HDAC6 (0.40) HDAC6HIF1AMAPTPTGDR2ALDH1A1
SCHEMBL7508121 0.70 GAA (0.49) MAPTALDH1A1NPSR1MEN1KMT2A

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-5654309-A KIDNEY, CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-08-05 US disclosed