SCHEMBL30747769

SCHEMBL30747769

O=C(O)CC(=O)OCCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
ALDH1A1 P00352 7/20 0.55
MAPT P10636 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
ATM Q13315 1/20 0.55
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
CYP2D6 P10635 1/20 0.44
EPHX2 P34913 4/20 0.44
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
THRB P10828 1/20 0.40

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
SCHEMBL31416870 0.90 MEN1 (0.49) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL29757001 0.82 MEN1 (0.60) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL5037099 0.78 MEN1 (0.53) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL19325507 0.77 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL12914621 0.77 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL950463 0.76 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL27436911 0.76 ALDH1A1 (0.51) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL14632358 0.76 MEN1 (0.50) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL25234021 0.75 MEN1 (0.59) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL15371093 0.75 MEN1 (0.57) MEN1KMT2AALDH1A1MAPTL3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119866217-A Agent for restoring metal steady state containing malonic acid or derivative thereof 牛津抗生素(制药)集团股份有限公司 2025-04-22 CN claimed
EP-4554569-A1 AGENT CONTAINING MALONIC ACID OR ITS DERIVATIVES FOR RESTORING METAL HOMEOSTASIS Oxford Antibiotic Group GmbH (AT) 2025-05-21 EP disclosed
CN-119866217-A Agent for restoring metal steady state containing malonic acid or derivative thereof 牛津抗生素(制药)集团股份有限公司 2025-04-22 CN disclosed
WO-2024013400-A1 AGENT CONTAINING MALONIC ACID OR ITS DERIVATIVES FOR RESTORING METAL HOMEOSTASIS OXFORD ANTIBIOTIC GROUP GMBH (AT) 2024-01-18 WO disclosed