SCHEMBL30749282

SCHEMBL30749282

CC(C)(C)OC(=O)N1CC=CCC[C@@H]1c1cc(Cl)ccc1C=O.O=C(O)N1CC=CCCC1c1cc(Cl)ccc1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.35
▸ FNTA P49354 4/20 0.34
▸ FNTB P49356 4/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ CNR1 P21554 2/20 0.33
▸ USP30 Q70CQ3 3/20 0.32
▸ NR1H2 P55055 1/20 0.32
▸ OPRK1 P41145 2/20 0.32
▸ APP P05067 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ ADRA2C P18825 1/20 0.32

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
SCHEMBL31556638 0.91 ALDH1A1 (0.41) ALDH1A1FNTAFNTBMEN1KMT2A
SCHEMBL30749247 0.89 ALDH1A1 (0.40) ALDH1A1FNTAFNTBMEN1KMT2A
SCHEMBL30749364 0.89 ALDH1A1 (0.40) ALDH1A1FNTAFNTBMEN1KMT2A
SCHEMBL27224163 0.84 TDP1 (0.36) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL27224212 0.84 TDP1 (0.36) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL27231932 0.82 FDFT1 (0.33) LMNAMAPTTSHRHTT
SCHEMBL27223580 0.82 FDFT1 (0.33) LMNAMAPTTSHRHTT
SCHEMBL27224064 0.78 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ALMNANPSR1
SCHEMBL30749329 0.78 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ALMNANPSR1
SCHEMBL30749316 0.77 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ALMNANPSR1

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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