SCHEMBL31496599

SCHEMBL31496599

COC(=O)C1CN(OC)CCC1=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
CYP1A2 P05177 1/20 0.33
HIF1A Q16665 1/20 0.33
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TLR4 O00206 1/20 0.31
MMP2 P08253 1/20 0.31
ANPEP P15144 1/20 0.31
TP53 P04637 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 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
SCHEMBL28926595 0.81 CHRNB2 (0.39) BRD4CYP1A2HIF1AALDH1A1L3MBTL1
SCHEMBL2616302 0.81 BRD4 (0.42) BRD4CYP1A2HIF1ASLC6A2SLC6A4
SCHEMBL20822144 0.79 BRD4 (0.41) BRD4CYP1A2HIF1AALDH1A1MMP2
Hydrochloric Acid SCHEMBL28031505 0.79 BRD4 (0.41) BRD4CYP1A2HIF1ASLC6A2SLC6A4
SCHEMBL13595166 0.79 BRD4 (0.41) BRD4CYP1A2HIF1AALDH1A1MMP2
SCHEMBL2447519 0.78 BRD4 (0.37) BRD4CYP1A2HIF1AALDH1A1TLR4
SCHEMBL2484846 0.78 BRD4 (0.37) BRD4CYP1A2HIF1AALDH1A1CHRM2
SCHEMBL10359379 0.77 BRD4 (0.36) BRD4CYP1A2HIF1AALDH1A1TP53
SCHEMBL858717 0.77 BRD4 (0.36) BRD4CYP1A2HIF1AALDH1A1TP53
SCHEMBL10017887 0.77 BRD4 (0.36) BRD4CYP1A2HIF1AALDH1A1L3MBTL1

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-2025036453-A1 EGFR MUTATION INHIBITORS AND USE THEREOF 上海和誉生物医药科技有限公司 2025-02-20 WO disclosed