SCHEMBL29954877

SCHEMBL29954877

CC(C)(C)OC(=O)Nc1c(B(O)O)ccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
KCNJ11 Q14654 5/20 0.43
NQO2 P16083 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
ABCC9 O60706 3/20 0.40
ABCC8 Q09428 3/20 0.40
KCNJ8 Q15842 3/20 0.40
ALDH1A1 P00352 1/20 0.39
PGR P06401 1/20 0.39
PTGS1 P23219 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TOP2A P11388 1/20 0.39
TOP2B Q02880 1/20 0.39
CTSS P25774 1/20 0.38
CTSK P43235 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
SCHEMBL2952822 0.77 MEN1 (0.42) GAAMEN1NPC1RAB9AKMT2A
SCHEMBL7714920 0.76 MEN1 (0.42) GAAMEN1NPC1RAB9AKMT2A
SCHEMBL3780741 0.75 RXFP1 (0.43) GAAMEN1NPC1RAB9AKMT2A
SCHEMBL2396852 0.75 ALDH1A1 (0.63) GAAMEN1NPC1RAB9AKMT2A
SCHEMBL1006953 0.74 NLRP3 (0.43) GAAMEN1NPC1RAB9AKMT2A
SCHEMBL29956316 0.74 NLRP3 (0.43) GAAMEN1NPC1RAB9AKMT2A
SCHEMBL5622577 0.74 MEN1 (0.45) GAAMEN1NPC1RAB9AKMT2A
SCHEMBL29954030 0.74 HDAC4 (0.40) GAAMEN1NPC1RAB9AKMT2A
SCHEMBL13742891 0.74 GAA (0.74) GAAMEN1NPC1RAB9AKMT2A
SCHEMBL12268247 0.73 NCEH1 (0.46) GAAMEN1NPC1RAB9AKMT2A

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed