SCHEMBL23280320

SCHEMBL23280320

COC(=O)C1=CCC(C(=O)O)C=C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.33
TSHR P16473 2/20 0.33
KCNH2 Q12809 1/20 0.33
NPSR1 Q6W5P4 3/20 0.32
KDM4E B2RXH2 6/20 0.32
POLB P06746 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 2/20 0.32
GAA P10253 1/20 0.32
NFKB1 P19838 1/20 0.32
XDH P47989 1/20 0.32
GFER P55789 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
FUT7 Q11130 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CHRM3 P20309 2/20 0.31
RXFP1 Q9HBX9 2/20 0.31
MEN1 O00255 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
SCHEMBL12491666 0.90 KCNH2 (0.33) ALDH1A1TSHRKCNH2NPSR1KDM4E
SCHEMBL16785727 0.85 KCNH2 (0.33) KCNH2NPSR1KDM4EPOLBTDP1
SCHEMBL1353549 0.80 GABRR1 (0.31)
SCHEMBL23048514 0.80 GABRR1 (0.31)
SCHEMBL13720079 0.79 KCNH2 (0.35) TSHRKCNH2NPSR1KDM4EPOLB
SCHEMBL11886079 0.79 KCNH2 (0.35) TSHRKCNH2NPSR1KDM4EPOLB
SCHEMBL17683049 0.77 KCNH2 (0.34) TSHRKCNH2KDM4EPOLBTDP1
SCHEMBL805476 0.77 GABRR1 (0.37) ALDH1A1TSHRKCNH2KDM4EPOLB
SCHEMBL22803044 0.76 PPARG (0.31) ALDH1A1KDM4EGAAKMT2A
SCHEMBL11886388 0.76 KCNH2 (0.36) KCNH2KDM4EPOLBTDP1LMNA

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
EP-3189041-B1 TETRAHYDROISOQUINOLINE DERIVED PRMT5-INHIBITORS CTXT PTY LTD (AU) 2021-04-28 EP disclosed