SCHEMBL24484372

SCHEMBL24484372

CCOc1ncccc1COc1ccc2oc(C)c(C(=O)NC3(CO)CCOCC3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC26A4 O43511 4/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
DGAT2 Q96PD7 3/20 0.44
MAPT P10636 4/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.42
PTGS2 P35354 1/20 0.42
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ADAMTS4 O75173 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
ADAM17 P78536 1/20 0.40
ADAMTS1 Q9UHI8 1/20 0.40

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
SCHEMBL29629728 1.00 SLC26A4 (0.46) SLC26A4MEN1KMT2ADGAT2MAPT
SCHEMBL24484914 0.93 SLC26A4 (0.47) SLC26A4MEN1KMT2ADGAT2MAPT
SCHEMBL29629763 0.93 SLC26A4 (0.47) SLC26A4MEN1KMT2ADGAT2MAPT
SCHEMBL29629929 0.92 SLC26A4 (0.44) SLC26A4MEN1KMT2ADGAT2MAPT
SCHEMBL24484978 0.92 SLC26A4 (0.44) SLC26A4MEN1KMT2ADGAT2MAPT
SCHEMBL24485701 0.90 SLC26A4 (0.48) SLC26A4MEN1KMT2AMAPTLMNA
SCHEMBL29629974 0.90 SLC26A4 (0.48) SLC26A4MEN1KMT2AMAPTLMNA
SCHEMBL24484825 0.90 SLC26A4 (0.44) SLC26A4MEN1KMT2ADGAT2MAPT
SCHEMBL24485644 0.89 SLC26A4 (0.46) SLC26A4MEN1KMT2ADGAT2MAPT
SCHEMBL29630097 0.89 SLC26A4 (0.46) SLC26A4MEN1KMT2ADGAT2MAPT

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