SCHEMBL24864663

SCHEMBL24864663

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 1/20 0.48
▸ PDF Q9HBH1 1/20 0.48
▸ PLG P00747 1/20 0.45
▸ SSTR3 P32745 1/20 0.42
▸ CALCRL Q16602 1/20 0.42
▸ CA1 P00915 3/20 0.41
▸ CA2 P00918 3/20 0.41
▸ MMP3 P08254 3/20 0.41
▸ LTA4H P09960 1/20 0.40
▸ SPHK1 Q9NYA1 4/20 0.39
▸ EHMT2 Q96KQ7 1/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ NMT2 O60551 1/20 0.38
▸ NMT1 P30419 1/20 0.38
▸ CPA1 P15085 1/20 0.38
▸ CPA2 P48052 1/20 0.38
▸ CPA4 Q9UI42 1/20 0.38
▸ SPHK2 Q9NRA0 1/20 0.38

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
SCHEMBL24864484 0.89 KLKB1 (0.47) KLKB1PDFPLGSSTR3CALCRL
SCHEMBL29335395 0.86 KLKB1 (0.43) KLKB1PDFPLGSSTR3CALCRL
SCHEMBL21157965 0.85 FURIN (0.38) SPHK1
SCHEMBL17067271 0.85 KLKB1 (0.47) KLKB1PDFPLGSSTR3CALCRL
SCHEMBL15686242 0.82 NMT2 (0.45) KLKB1PDFPLGSSTR3CALCRL
SCHEMBL24864487 0.82 KLKB1 (0.44) KLKB1PDFPLGSSTR3CALCRL
SCHEMBL16645085 0.82 FURIN (0.45) KLKB1PDFPLGSSTR3CALCRL
SCHEMBL14966039 0.81 SMN1; SMN2 (0.45) KLKB1PDFPLGCALCRLCA1
SCHEMBL18738463 0.81 SMN1; SMN2 (0.45) KLKB1PDFPLGCALCRLMMP3
SCHEMBL29342074 0.81 KLKB1 (0.42) KLKB1PDFPLGSSTR3CALCRL

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-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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