SCHEMBL30749326

SCHEMBL30749326

CCCCOC(=O)N1CCCC1c1cc(Cl)ccc1C=O.CCOC(=O)c1[nH]ccc1NCc1ccc(Cl)cc1C1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.40
▸ ALOX15 P16050 1/20 0.38
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ LMNA P02545 3/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ F2 P00734 1/20 0.35
▸ POLB P06746 2/20 0.33
▸ AHCY P23526 3/20 0.33
▸ TP53 P04637 2/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ UCHL1 P09936 1/20 0.32
▸ USP30 Q70CQ3 1/20 0.32
▸ GAA P10253 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MDM2 Q00987 1/20 0.32
▸ GLA P06280 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
SCHEMBL30028767 0.90 ALDH1A1 (0.47) ALDH1A1ALOX15MEN1KMT2ALMNA
SCHEMBL27224083 0.90 ALDH1A1 (0.47) ALDH1A1ALOX15MEN1KMT2ALMNA
SCHEMBL27224054 0.88 ALDH1A1 (0.45) ALDH1A1ALOX15MEN1KMT2ALMNA
SCHEMBL30749308 0.88 ALDH1A1 (0.45) ALDH1A1ALOX15MEN1KMT2ALMNA
SCHEMBL30749295 0.80 ALOX15 (0.39) ALDH1A1ALOX15MEN1KMT2ALMNA
SCHEMBL27224063 0.80 ALOX15 (0.39) ALDH1A1ALOX15MEN1KMT2ALMNA
SCHEMBL27223533 0.79 F2 (0.41) ALDH1A1ALOX15MEN1KMT2ALMNA
SCHEMBL27223426 0.78 KMT2A (0.47) ALDH1A1ALOX15MEN1KMT2ALMNA
SCHEMBL30749239 0.78 KMT2A (0.47) ALDH1A1ALOX15MEN1KMT2ALMNA
SCHEMBL30749254 0.77 KMT2A (0.46) ALDH1A1ALOX15MEN1KMT2ALMNA

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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