SCHEMBL27415201

SCHEMBL27415201

CC(C)C(=O)OCC(=O)N(C)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 2/20 0.33
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CHRNB2 P17787 2/20 0.31
CHRNA4 P43681 2/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 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
SCHEMBL28033074 0.82 KDM4E (0.39) POLBPKMALDH1A1KDM4EGAA
SCHEMBL12919893 0.77 MAPT (0.33) ALDH1A1KDM4EHPGDMAPTRAB9A
SCHEMBL11912103 0.75
SCHEMBL21561631 0.74 CHRNB2 (0.35) ALDH1A1KDM4ESMN1; SMN2CHRNB2CHRNA4
SCHEMBL7810255 0.71 NPC1 (0.38) POLBALDH1A1NPC1MEN1LMNA
SCHEMBL23875200 0.69
SCHEMBL14328602 0.69 ALDH1A1 (0.39) ALDH1A1GAANPC1MEN1LMNA
SCHEMBL3391950 0.69 NPC1 (0.37) POLBALDH1A1NPC1MEN1LMNA
SCHEMBL2909899 0.69 PAM (0.40) ALDH1A1NPC1MEN1LMNAMAPT
SCHEMBL10308349 0.69 NPC1 (0.37) POLBALDH1A1NPC1MEN1LMNA

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-2024116207-A1 ADAR1 INHIBITORS AND METHODS OF USING THE SAME AVAMMUNE THERAPEUTICS INC. (IN) 2024-06-06 WO disclosed