SCHEMBL7539014

SCHEMBL7539014

COC(=O)[C@H](CCSC[C@@H](NC(=O)CC(C)(C)C)C(=O)OC)NC(=O)C(CC(C)C)c1ccc(NC(=O)Nc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ 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
▸ NCOR2 Q9Y618 2/20 0.39
▸ GAA P10253 2/20 0.38
▸ REN P00797 1/20 0.38
▸ BIRC2 Q13490 1/20 0.37
▸ CA12 O43570 3/20 0.37
▸ CA1 P00915 3/20 0.37
▸ CA2 P00918 3/20 0.37
▸ CA9 Q16790 3/20 0.37
▸ HPGD P15428 2/20 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
SCHEMBL7539011 1.00 HDAC3 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7544141 0.91 GAA (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7542063 0.91 GAA (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7538513 0.87 ITGB1 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7538506 0.87 ITGB1 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7545670 0.86 ANPEP (0.46) GAARAB9AANPEP
SCHEMBL7540040 0.86 ANPEP (0.46) GAARAB9AANPEP
SCHEMBL7545839 0.85 ACE (0.39) MAPT
SCHEMBL7539858 0.85 ACE (0.39) MAPT
SCHEMBL7538838 0.85 FPR2 (0.38) GAAHPGDMAPTRAB9AANPEP

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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