SCHEMBL29342074

SCHEMBL29342074

CC(C)[C@H](NC(=O)CNC(=O)CNI)C(=O)N[C@@H](CCCCN)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 1/20 0.42
▸ FURIN P09958 7/20 0.41
▸ PDF Q9HBH1 1/20 0.41
▸ PLG P00747 1/20 0.39
▸ CALCRL Q16602 1/20 0.38
▸ TERT O14746 1/20 0.38
▸ SSTR3 P32745 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ MMP3 P08254 1/20 0.36
▸ NMT2 O60551 1/20 0.36
▸ NMT1 P30419 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
SCHEMBL24864487 0.92 KLKB1 (0.44) KLKB1FURINPDFPLGCALCRL
SCHEMBL27291534 0.85 FURIN (0.48) KLKB1FURINPDFPLGCALCRL
SCHEMBL15686242 0.83 NMT2 (0.45) KLKB1FURINPDFPLGCALCRL
SCHEMBL16645085 0.83 FURIN (0.45) KLKB1FURINPDFPLGCALCRL
SCHEMBL29342070 0.82 FURIN (0.42) KLKB1FURINPDFPLGSSTR3
SCHEMBL24864663 0.81 KLKB1 (0.48) KLKB1PDFPLGCALCRLSSTR3
SCHEMBL29342079 0.81 TERT (0.57) TERT
SCHEMBL17661798 0.80 FURIN (0.42) KLKB1FURINPDFPLGCALCRL
SCHEMBL14978855 0.80 NMT2 (0.45) KLKB1FURINCALCRLNMT2NMT1
SCHEMBL15692124 0.80 NMT2 (0.45) KLKB1FURINCALCRLNMT2NMT1

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-2024151890-A1 LINKERS, DRUG LINKERS AND CONJUGATES THEREOF AND METHODS OF USING THE SAME PROFOUNDBIO US CO. (US) 2024-07-18 — — WO disclosed
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