SCHEMBL24485705

SCHEMBL24485705

Cc1ncc(COc2ccc3oc(C)c(C(=O)NC4(CO)CCOCC4)c3c2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 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
SLC26A4 O43511 7/20 0.41
KMT2A Q03164 7/20 0.41
MEN1 O00255 6/20 0.41
MAPT P10636 4/20 0.41
LMNA P02545 3/20 0.41
TSHR P16473 3/20 0.41
BLM P54132 1/20 0.40
ATM Q13315 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 2/20 0.39
ROCK1 Q13464 1/20 0.38

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
SCHEMBL29629850 1.00 GAA (0.42) GAACASP3SENP8SENP7SENP6
SCHEMBL24485638 0.96 GAA (0.41) GAACASP3SENP8SENP7SENP6
SCHEMBL29629771 0.96 GAA (0.41) GAACASP3SENP8SENP7SENP6
SCHEMBL24484526 0.95 GAA (0.44) GAACASP3SENP8SENP7SENP6
SCHEMBL29630128 0.93 GAA (0.43) GAACASP3SENP8SENP7SENP6
SCHEMBL24485715 0.93 GAA (0.43) GAACASP3SENP8SENP7SENP6
SCHEMBL29630100 0.92 GAA (0.44) GAACASP3SENP8SENP7SENP6
SCHEMBL24485636 0.92 GAA (0.44) GAACASP3SENP8SENP7SENP6
SCHEMBL24484527 0.88 GAA (0.42) GAACASP3SENP8SENP7SENP6
SCHEMBL24484395 0.87 GAA (0.41) GAACASP3SENP8SENP7SENP6

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