SCHEMBL30749323

SCHEMBL30749323

CC(C)(C)OC(=O)N1CCOC[C@H]1c1ccccc1C=O.O=C(O)N1CCOCC1c1ccccc1Br

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 6/20 0.45
▸ BACE1 P56817 1/20 0.42
▸ TSHR P16473 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NR1H3 Q13133 4/20 0.35
▸ PDE5A O76074 1/20 0.35
▸ UCHL1 P09936 1/20 0.35
▸ MALT1 Q9UDY8 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.32
▸ KLK7 P49862 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TMEM97 Q5BJF2 1/20 0.31
▸ SIGMAR1 Q99720 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
SCHEMBL31556713 0.90 NR1H2 (0.39) NR1H2BACE1TSHRMEN1ALDH1A1
SCHEMBL30899777 0.90 NR1H2 (0.39) NR1H2BACE1TSHRMEN1ALDH1A1
SCHEMBL31556681 0.88 NR1H2 (0.53) NR1H2BACE1TSHRMEN1ALDH1A1
SCHEMBL30749206 0.88 NR1H2 (0.53) NR1H2BACE1TSHRMEN1ALDH1A1
SCHEMBL27223597 0.83 BACE1 (0.42) BACE1TSHRMEN1ALDH1A1LMNA
SCHEMBL27231896 0.83 BACE1 (0.42) BACE1TSHRMEN1ALDH1A1LMNA
SCHEMBL27224160 0.81 BACE1 (0.57) BACE1TSHRMEN1ALDH1A1LMNA
SCHEMBL27224210 0.81 BACE1 (0.57) BACE1TSHRMEN1ALDH1A1LMNA
SCHEMBL30749213 0.77 TSHR (0.42) TSHRMEN1ALDH1A1LMNAKMT2A
SCHEMBL27224118 0.77 TSHR (0.42) TSHRMEN1ALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4573096-A1 INHIBITORS OF MYELOPEROXIDASE Astrazeneca AB (SE) 2025-06-25 — — EP disclosed
WO-2024038131-A1 INHIBITORS OF MYELOPEROXIDASE ASTRAZENECA AB (SE) 2024-02-22 — — WO disclosed
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