SCHEMBL17661798

SCHEMBL17661798

CC(C)[C@H](NC(=O)Cc1ccc(N)cc1)C(=O)N[C@@H](CCCN)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 6/20 0.42
▸ HDAC3 O15379 2/20 0.39
▸ HDAC4 P56524 2/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC7 Q8WUI4 2/20 0.39
▸ HDAC2 Q92769 2/20 0.39
▸ HDAC10 Q969S8 2/20 0.39
▸ HDAC11 Q96DB2 2/20 0.39
▸ HDAC8 Q9BY41 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ HDAC9 Q9UKV0 2/20 0.39
▸ HDAC5 Q9UQL6 2/20 0.39
▸ ITGB1 P05556 1/20 0.39
▸ ITGA4 P13612 1/20 0.39
▸ KLKB1 P03952 1/20 0.38
▸ PDF Q9HBH1 1/20 0.38
▸ CALCRL Q16602 1/20 0.38
▸ NMT2 O60551 4/20 0.37
▸ NMT1 P30419 4/20 0.37
▸ PLG P00747 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
SCHEMBL16645085 0.88 FURIN (0.45) FURINKLKB1PDFCALCRLNMT2
SCHEMBL19508510 0.86 FURIN (0.39) FURINHDAC3HDAC4HDAC1HDAC7
SCHEMBL15686242 0.86 NMT2 (0.45) FURINHDAC3HDAC4HDAC1HDAC2
SCHEMBL24864487 0.81 KLKB1 (0.44) FURINITGB1KLKB1PDFCALCRL
SCHEMBL20332469 0.81 CA2 (0.45) FURINHDAC3HDAC4HDAC1HDAC7
SCHEMBL29335395 0.81 KLKB1 (0.43) FURINKLKB1PDFCALCRLPLG
SCHEMBL29342074 0.80 KLKB1 (0.42) FURINKLKB1PDFCALCRLNMT2
SCHEMBL24864663 0.79 KLKB1 (0.48) KLKB1PDFCALCRLNMT2NMT1
SCHEMBL18738463 0.79 SMN1; SMN2 (0.45) KLKB1PDFCALCRLNMT2NMT1
SCHEMBL14978855 0.78 NMT2 (0.45) FURINKLKB1CALCRLNMT2NMT1

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-2016054315-A1 METHOD OF CONJUGATING A POLYPEPTIDE MEDIMMUNE, LLC (US) 2016-04-07 — — WO disclosed
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