SCHEMBL30749247

SCHEMBL30749247

CC(C)(C)OC(=O)N1CC=CCC[C@@H]1c1cc(Cl)ccc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.40
▸ CNR1 P21554 1/20 0.38
▸ NR1H2 P55055 1/20 0.38
▸ USP30 Q70CQ3 1/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ GRM5 P41594 1/20 0.36
▸ FNTA P49354 2/20 0.35
▸ FNTB P49356 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ STS P08842 2/20 0.35
▸ UCHL1 P09936 1/20 0.35
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HDAC8 Q9BY41 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
SCHEMBL30749282 0.89 ALDH1A1 (0.35) ALDH1A1CNR1NR1H2USP30MEN1
SCHEMBL31556638 0.85 ALDH1A1 (0.41) ALDH1A1CNR1USP30MEN1KMT2A
SCHEMBL28896244 0.84 ALDH1A1 (0.52) ALDH1A1CNR1NR1H2USP30MEN1
SCHEMBL27231932 0.83 FDFT1 (0.33) LMNAMAPTTSHRHTTCYP2C9
SCHEMBL27223580 0.83 FDFT1 (0.33) LMNAMAPTTSHRHTTCYP2C9
SCHEMBL30749364 0.76 ALDH1A1 (0.40) ALDH1A1CNR1USP30MEN1KMT2A
SCHEMBL27223643 0.72 TSHR (0.32) LMNATSHRHTT
SCHEMBL27231815 0.72 TSHR (0.32) LMNATSHRHTT
SCHEMBL29932069 0.72 RIPK1 (0.43) ALDH1A1NR1H2USP30MEN1KMT2A
SCHEMBL38652319 0.71 NR1H2 (0.37) ALDH1A1NR1H2USP30MEN1KMT2A

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 3 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
CN-119894896-A Inhibitors of green peroxidase 阿斯利康(瑞典)有限公司 2025-04-25 — — CN disclosed
WO-2024038131-A1 INHIBITORS OF MYELOPEROXIDASE ASTRAZENECA AB (SE) 2024-02-22 — — WO disclosed
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