SCHEMBL31439593

SCHEMBL31439593

CC(C)(C)OC(=O)N1CCN(CC(=O)O)C(C(F)F)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
NR1H2 P55055 1/20 0.39
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
HPGD P15428 1/20 0.35
EPHX2 P34913 1/20 0.35
GPR119 Q8TDV5 2/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL31439585 0.85 ALDH1A1 (0.38) MEN1ALDH1A1MAPTKMT2ANR1H2
SCHEMBL21807443 0.81 GPR119 (0.49) GPR119JAK2JAK1
SCHEMBL28504730 0.81 GPR119 (0.49) GPR119JAK2JAK1
SCHEMBL1498927 0.81 GPR119 (0.49) GPR119JAK2JAK1
SCHEMBL23235715 0.81 SLC6A9 (0.44) MEN1ALDH1A1MAPTKMT2ANR1H2
SCHEMBL13812253 0.81 SLC6A9 (0.44) MEN1ALDH1A1MAPTKMT2ANR1H2
SCHEMBL20454638 0.80 USP2 (0.42) MEN1ALDH1A1MAPTKMT2ANR1H2
SCHEMBL29930781 0.80 USP2 (0.42) MEN1ALDH1A1MAPTKMT2ANR1H2
SCHEMBL27034020 0.80 MEN1 (0.43) MEN1ALDH1A1MAPTKMT2ANR1H2
SCHEMBL26537600 0.80 MEN1 (0.43) MEN1ALDH1A1MAPTKMT2ANR1H2

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-2025015167-A2 ERASTIN KETONE ANALOGS AND USES THEREOF EXARTA THERAPEUTICS, INC. (US) 2025-01-16 WO disclosed