SCHEMBL24966596

SCHEMBL24966596

CC(=O)OCc1ccc(COC(=O)I)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.64
▸ CYP3A4 P08684 1/20 0.50
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ CA2 P00918 1/20 0.41
▸ IDH1 O75874 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL132773 0.89 ALDH1A1 (0.78) ALDH1A1CYP3A4KMT2AMEN1CA2
SCHEMBL7669070 0.85 ALDH1A1 (0.67) ALDH1A1CYP3A4KMT2AMEN1CA2
SCHEMBL22734055 0.83 ALDH1A1 (0.64) ALDH1A1CYP3A4KMT2AMEN1CA2
SCHEMBL7115522 0.83 ALDH1A1 (0.64) ALDH1A1CYP3A4KMT2AMEN1CA2
SCHEMBL4198688 0.83 ALDH1A1 (0.69) ALDH1A1CYP3A4KMT2AMEN1CA2
SCHEMBL11315920 0.83 ALDH1A1 (0.69) ALDH1A1CYP3A4KMT2AMEN1CA2
SCHEMBL126492 0.83 ALDH1A1 (0.69) ALDH1A1CYP3A4KMT2AMEN1CA2
SCHEMBL10604973 0.83 ALDH1A1 (0.69) ALDH1A1CYP3A4KMT2AMEN1CA2
SCHEMBL2756748 0.81 ALDH1A1 (0.67) ALDH1A1CYP3A4KMT2AMEN1CA2
SCHEMBL3225684 0.81 ALDH1A1 (0.67) ALDH1A1CYP3A4KMT2AMEN1CA2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023001223-A1 COMPOUNDS AND COMPOSITIONS FOR TARGETED THERAPY OF RENAL DISEASES SHANGHAI MICURX PHARMACEUTICAL CO., LTD. (CN) 2023-01-26 — — WO disclosed
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