SCHEMBL8923666

SCHEMBL8923666

CCC(C(=O)O)n1c(=O)c2c(-c3ccnc4ccccc34)c(C(=O)O)c(C(C)C)nc2n(Cc2ccccc2SC)c1=O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
KDM5B Q9UGL1 1/20 0.32
CMA1 P23946 4/20 0.31
FEN1 P39748 1/20 0.31
THRB P10828 1/20 0.31
TGFBR1 P36897 1/20 0.31
MAPK14 Q16539 1/20 0.31
FABP3 P05413 1/20 0.31
FABP4 P15090 1/20 0.31
FABP5 Q01469 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
SCHEMBL7572056 0.87 PTGDR2 (0.41) EDNRBPTGDR2KDM5BCMA1FEN1
SCHEMBL7571920 0.76 HDAC6 (0.41) EDNRBPTGDR2
SCHEMBL8923924 0.70 HDAC6 (0.40) PTGDR2
SCHEMBL7574883 0.70 PTGDR2 (0.40) EDNRBPTGDR2
SCHEMBL10673575 0.58 MAPK8 (0.54)
SCHEMBL26747851 0.56 APAF1 (0.52)
SCHEMBL7654816 0.56 PGR (0.55)
SCHEMBL25920056 0.55 ACVR1 (0.44)
SCHEMBL80194 0.55 USP5 (0.68) THRB
SCHEMBL311956 0.55 USP5 (0.68) THRB

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