SCHEMBL24864484

SCHEMBL24864484

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 1/20 0.47
▸ PDF Q9HBH1 1/20 0.47
▸ PLG P00747 1/20 0.45
▸ SSTR3 P32745 1/20 0.42
▸ LTA4H P09960 1/20 0.42
▸ CALCRL Q16602 1/20 0.41
▸ SPHK1 Q9NYA1 8/20 0.41
▸ CA1 P00915 3/20 0.40
▸ CA2 P00918 3/20 0.40
▸ MMP3 P08254 2/20 0.40
▸ SPHK2 Q9NRA0 1/20 0.40

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
SCHEMBL29335395 0.96 KLKB1 (0.43) KLKB1PDFPLGSSTR3LTA4H
SCHEMBL24864663 0.89 KLKB1 (0.48) KLKB1PDFPLGSSTR3LTA4H
SCHEMBL16847756 0.87 SPHK1 (0.40) KLKB1SPHK1SPHK2
SCHEMBL16392367 0.87 SPHK1 (0.40) KLKB1SPHK1SPHK2
SCHEMBL21566843 0.87 SIRT1 (0.41) SPHK1
SCHEMBL20739105 0.85 NPY4R (0.38) SPHK1SPHK2
SCHEMBL20966573 0.85 SPHK1 (0.41) KLKB1PDFSPHK1SPHK2
SCHEMBL22315797 0.85 NPY4R (0.38) SPHK1SPHK2
SCHEMBL20158427 0.85 NPY4R (0.38) SPHK1SPHK2
SCHEMBL12944390 0.85 NPY4R (0.38) SPHK1SPHK2

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
WO-2024151890-A1 LINKERS, DRUG LINKERS AND CONJUGATES THEREOF AND METHODS OF USING THE SAME PROFOUNDBIO US CO. (US) 2024-07-18 — — WO disclosed
WO-2023280227-A2 LINKERS, DRUG LINKERS AND CONJUGATES THEREOF AND METHODS OF USING THE SAME PROFOUNDBIO US CO. (US) 2023-01-12 — — WO disclosed
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