SCHEMBL8914836

SCHEMBL8914836

COc1ccc(Cn2c(=O)n(CC(=O)O)c(=O)c3c(-c4ccc5ccccc5n4)c(C(=O)O)c(C(C)C)nc32)c(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.38
EDNRB P24530 4/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
AADAT Q8N5Z0 1/20 0.36
TSHR P16473 1/20 0.35
NPC1 O15118 1/20 0.35
AGTR1 P30556 1/20 0.35
AGTR2 P50052 1/20 0.35
HSP90AB1 P08238 1/20 0.34

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 0.92 HDAC6 (0.39) PTGDR2EDNRBMEN1KMT2A
SCHEMBL8915668 0.84 HDAC6 (0.37) PTGDR2MEN1KMT2A
SCHEMBL7506489 0.81 PTGDR2 (0.35) PTGDR2MEN1KMT2A
SCHEMBL7571920 0.77 HDAC6 (0.41) PTGDR2EDNRBMEN1KMT2A
SCHEMBL7516884 0.76 FEN1 (0.37) EDNRBMEN1KMT2A
SCHEMBL7512664 0.71 SLC10A2 (0.43) EDNRB
SCHEMBL7574883 0.70 PTGDR2 (0.40) PTGDR2EDNRBMEN1KMT2A
SCHEMBL7512320 0.63 NMT2 (0.32) MEN1KMT2A
SCHEMBL4310387 0.63
SCHEMBL30765992 0.60 MAPT (0.52) MEN1KMT2ATSHR

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 claimed