SCHEMBL24485688

SCHEMBL24485688

COc1ncccc1COc1ccc2oc(C)c(C(=O)NC3(CO)CCC3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC26A4 O43511 6/20 0.48
KMT2A Q03164 5/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 4/20 0.46
TSHR P16473 2/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 2/20 0.45
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 2/20 0.42
ANO1 Q5XXA6 1/20 0.41
ROCK1 Q13464 1/20 0.40
PTGS2 P35354 1/20 0.40
BLM P54132 1/20 0.39

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
SCHEMBL29629713 1.00 SLC26A4 (0.48) SLC26A4KMT2AMAPTMEN1TSHR
SCHEMBL24485356 0.97 SLC26A4 (0.49) SLC26A4KMT2AMAPTMEN1TSHR
SCHEMBL29630182 0.97 SLC26A4 (0.49) SLC26A4KMT2AMAPTMEN1TSHR
SCHEMBL29629763 0.94 SLC26A4 (0.47) SLC26A4KMT2AMAPTMEN1TSHR
SCHEMBL24484914 0.94 SLC26A4 (0.47) SLC26A4KMT2AMAPTMEN1TSHR
SCHEMBL24485642 0.93 SLC26A4 (0.48) SLC26A4KMT2AMAPTMEN1TSHR
SCHEMBL29630118 0.93 SLC26A4 (0.48) SLC26A4KMT2AMAPTMEN1TSHR
SCHEMBL24485644 0.91 SLC26A4 (0.46) SLC26A4KMT2AMAPTMEN1TSHR
SCHEMBL29630097 0.91 SLC26A4 (0.46) SLC26A4KMT2AMAPTMEN1TSHR
SCHEMBL24485706 0.90 SLC26A4 (0.49) SLC26A4KMT2AMAPTMEN1TSHR

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
WO-2022112352-A1 HETEROCYCLE DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-06-02 WO disclosed