SCHEMBL30749237

SCHEMBL30749237

C=CCOCc1ccc(Cl)cc1C1COCCN1C(=O)OC(C)(C)C.CC(C)(C)OC(=O)N1CCOCC1c1cc(Cl)ccc1CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ F2 P00734 2/20 0.35
▸ F9 P00740 2/20 0.35
▸ F10 P00742 2/20 0.35
▸ F12 P00748 2/20 0.35
▸ PRSS1 P07477 2/20 0.35
▸ PRSS2 P07478 2/20 0.35
▸ F7 P08709 2/20 0.35
▸ PRSS3 P35030 2/20 0.35
▸ AKR1C3 P42330 1/20 0.34
▸ MALT1 Q9UDY8 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CNR1 P21554 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
SCHEMBL27223381 0.97 TSHR (0.41) TSHRLMNAMEN1MAPTHTT
SCHEMBL30749357 0.89 TSHR (0.46) TSHRLMNAMEN1MAPTHTT
SCHEMBL27223611 0.89 TSHR (0.46) TSHRLMNAMEN1MAPTHTT
SCHEMBL27224065 0.84 ALDH1A1 (0.35) TSHRMEN1MAPTKMT2AALDH1A1
SCHEMBL27224118 0.76 TSHR (0.42) TSHRLMNAMEN1MAPTHTT
SCHEMBL30749213 0.76 TSHR (0.42) TSHRLMNAMEN1MAPTHTT
SCHEMBL30899767 0.76 ALDH1A1 (0.58) TSHRLMNAMEN1MAPTHTT
SCHEMBL27223962 0.76 ALDH1A1 (0.58) TSHRLMNAMEN1MAPTHTT
SCHEMBL30749234 0.75 ALDH1A1 (0.54) TSHRLMNAMEN1MAPTHTT
SCHEMBL27224081 0.75 ALDH1A1 (0.54) TSHRLMNAMEN1MAPTHTT

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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