SCHEMBL30749382

SCHEMBL30749382

CC(C)(C)OC(=O)N1CCCCC1c1cc(Cl)ccc1C=O.CC(C)(C)OC(=O)N1CCCCC1c1cc(Cl)ccc1CO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.48
▸ TSHR P16473 5/20 0.47
▸ LMNA P02545 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ POLB P06746 1/20 0.39
▸ F2 P00734 2/20 0.39
▸ OPRK1 P41145 2/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ USP30 Q70CQ3 2/20 0.37
▸ UCHL1 P09936 1/20 0.37
▸ AHCY P23526 1/20 0.37
▸ F10 P00742 1/20 0.36
▸ F12 P00748 1/20 0.36
▸ PRSS1 P07477 1/20 0.36
▸ PRSS2 P07478 1/20 0.36
▸ F7 P08709 1/20 0.36

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
SCHEMBL30749234 0.93 ALDH1A1 (0.54) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL27224081 0.93 ALDH1A1 (0.54) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL27224030 0.92 ALDH1A1 (0.48) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL30749316 0.92 ALDH1A1 (0.48) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL31556715 0.91 ALDH1A1 (0.47) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL30749292 0.91 ALDH1A1 (0.47) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL30899767 0.90 ALDH1A1 (0.58) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL27223962 0.90 ALDH1A1 (0.58) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL30749329 0.89 ALDH1A1 (0.51) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL27224064 0.89 ALDH1A1 (0.51) ALDH1A1TSHRLMNAMEN1KMT2A

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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