SCHEMBL7570635

SCHEMBL7570635

COc1ccc(NC(=NC#N)Nc2ccc(C(CC(C)C)C(=O)NC(Cc3ccccc3CC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 11/20 0.41
▸ FPR2 P25090 1/20 0.40
▸ CTSS P25774 2/20 0.39
▸ CTSK P43235 2/20 0.39
▸ ANPEP P15144 1/20 0.39
▸ REN P00797 1/20 0.38
▸ HDAC3 O15379 2/20 0.38
▸ HDAC4 P56524 2/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC7 Q8WUI4 2/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ HDAC10 Q969S8 2/20 0.38
▸ HDAC11 Q96DB2 2/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ HDAC9 Q9UKV0 2/20 0.38
▸ HDAC5 Q9UQL6 2/20 0.38
▸ MMP3 P08254 4/20 0.37
▸ CTSL P07711 1/20 0.37
▸ CTSB P07858 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
SCHEMBL7543803 0.94 CTSK (0.43) MMP1CTSSCTSKRENMMP3
SCHEMBL7571304 0.92 CTSK (0.41) CTSSCTSKRENCTSLCTSB
SCHEMBL7569173 0.92 CTSK (0.41) MMP1CTSSCTSKRENCTSL
SCHEMBL7571661 0.91 CTSK (0.40) MMP1CTSSCTSKRENHDAC3
SCHEMBL7541309 0.90 ANPEP (0.40) MMP1FPR2CTSSCTSKANPEP
SCHEMBL7541782 0.89 ANPEP (0.40) MMP1FPR2CTSSCTSKANPEP
SCHEMBL7544754 0.89 FPR2 (0.49) MMP1FPR2ANPEPRENHDAC3
SCHEMBL7545704 0.89 HDAC3 (0.46) MMP1FPR2CTSSCTSKANPEP
SCHEMBL7569100 0.88 CTSK (0.38) MMP1FPR2CTSSCTSKREN
SCHEMBL7567398 0.87 ANPEP (0.38) MMP1FPR2CTSSCTSKANPEP

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
EP-1209147-A1 CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2002-05-29 — — EP disclosed
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