SCHEMBL25957396

SCHEMBL25957396

CC(C1CN(C(=O)OC(C)(C)C)CCC1=O)N(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.44
CRBN Q96SW2 2/20 0.44
USP30 Q70CQ3 4/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ESR2 Q92731 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
PDK4 Q16654 1/20 0.37
NR1H2 P55055 2/20 0.37
KDM4E B2RXH2 1/20 0.37
THRB P10828 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL6573295 0.85 MAPT (0.42) DDB1CRBNMAPTALDH1A1NPC1
SCHEMBL2348483 0.81 ALDH1A1 (0.40) DDB1CRBNMAPTALDH1A1NPC1
SCHEMBL21285241 0.80 GPR119 (0.42) DDB1CRBNMAPTALDH1A1NPC1
SCHEMBL4481859 0.78 TACR1 (0.48) USP30MAPTALDH1A1NPC1MAPK1
SCHEMBL104498 0.77 USP2 (0.44) DDB1CRBNMAPTALDH1A1USP2
SCHEMBL12908934 0.77 USP2 (0.44) DDB1CRBNMAPTALDH1A1USP2
SCHEMBL21241481 0.77 USP2 (0.44) DDB1CRBNMAPTALDH1A1USP2
SCHEMBL31561924 0.77 USP2 (0.44) DDB1CRBNMAPTALDH1A1USP2
SCHEMBL31372297 0.77 USP2 (0.44) DDB1CRBNMAPTALDH1A1USP2
SCHEMBL28441771 0.77 USP2 (0.44) DDB1CRBNMAPTALDH1A1USP2

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
EP-3555070-B1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND METHODS OF USE THEREOF EPIZYME INC (US) 2023-08-09 EP disclosed