SCHEMBL7546973

SCHEMBL7546973

COc1ccc(NC(=O)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 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 2/20 0.52
▸ FPR2 P25090 1/20 0.51
▸ HDAC3 O15379 1/20 0.51
▸ HDAC4 P56524 1/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC7 Q8WUI4 1/20 0.51
▸ HDAC2 Q92769 1/20 0.51
▸ HDAC10 Q969S8 1/20 0.51
▸ HDAC11 Q96DB2 1/20 0.51
▸ HDAC8 Q9BY41 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ HDAC9 Q9UKV0 1/20 0.51
▸ HDAC5 Q9UQL6 1/20 0.51
▸ MMP1 P03956 5/20 0.47
▸ REN P00797 1/20 0.45
▸ PSMB8 P28062 3/20 0.45
▸ PSMB11 A5LHX3 2/20 0.45
▸ PSMA7 O14818 2/20 0.45
▸ PSMB1 P20618 2/20 0.45
▸ PSMA1 P25786 2/20 0.45

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
SCHEMBL7544830 0.94 MMP3 (0.47) MMP1RENMAPTRAB9AITGB1
SCHEMBL7539004 0.92 FOLH1 (0.46) MMP1RENITGB1ITGA4MMP3
SCHEMBL7542034 0.92 ITGB1 (0.47) MMP1RENITGB1ITGA4MMP3
SCHEMBL7540009 0.91 ITGB1 (0.45) MMP1RENPSMB8PSMB11PSMA7
SCHEMBL7545704 0.89 HDAC3 (0.46) ANPEPFPR2HDAC3HDAC4HDAC1
SCHEMBL7543913 0.89 ANPEP (0.54) ANPEPFPR2HDAC3HDAC4HDAC1
SCHEMBL7543373 0.89 HDAC3 (0.45) ANPEPFPR2HDAC3HDAC4HDAC1
SCHEMBL7543377 0.89 HDAC3 (0.45) ANPEPFPR2HDAC3HDAC4HDAC1
SCHEMBL7538899 0.88 ANPEP (0.53) ANPEPFPR2HDAC3HDAC4HDAC1
SCHEMBL7545877 0.88 ANPEP (0.53) ANPEPFPR2HDAC3HDAC4HDAC1

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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