SCHEMBL7545704

SCHEMBL7545704

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ HDAC9 Q9UKV0 1/20 0.46
▸ HDAC5 Q9UQL6 1/20 0.46
▸ CTSL P07711 2/20 0.43
▸ CTSS P25774 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ MMP1 P03956 7/20 0.42
▸ ANPEP P15144 1/20 0.42
▸ FPR2 P25090 1/20 0.41
▸ PSMB8 P28062 2/20 0.41
▸ REN P00797 1/20 0.41
▸ PSMB11 A5LHX3 1/20 0.41

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
SCHEMBL7570081 0.95 CTSL (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7540085 0.93 CTSL (0.42) CTSLCTSSCTSKMMP1REN
SCHEMBL7548201 0.93 CTSL (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7543417 0.92 CTSL (0.41) CTSLCTSSMMP1PSMB8REN
SCHEMBL7541663 0.90 ANPEP (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7547249 0.90 ANPEP (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7546973 0.89 ANPEP (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7541963 0.89 MEN1 (0.42) CTSLCTSSCTSKMMP1FPR2
SCHEMBL7570635 0.89 MMP1 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7541424 0.88 MMP1 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2

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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