SCHEMBL7544141

SCHEMBL7544141

CC(C)CC(C(=O)NC(CSCCC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O)c1ccc(NC(=O)Nc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ FPR2 P25090 3/20 0.39
▸ 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
▸ NCOR2 Q9Y618 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TP53 P04637 1/20 0.38

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
SCHEMBL7542063 1.00 GAA (0.40) GAAMAPTHPGDRAB9AFPR2
SCHEMBL7539858 0.94 ACE (0.39) MAPTFPR2SMN1; SMN2ACEMAPK1
SCHEMBL7538838 0.94 FPR2 (0.38) GAAMAPTHPGDRAB9AFPR2
SCHEMBL7545839 0.94 ACE (0.39) MAPTFPR2SMN1; SMN2ACEMAPK1
SCHEMBL7541658 0.94 FPR2 (0.38) GAAMAPTHPGDRAB9AFPR2
SCHEMBL7538354 0.93 GAA (0.41) GAAMAPTHPGDRAB9AHDAC3
SCHEMBL7542841 0.93 ACE (0.40) FPR2ACEMAPK1
SCHEMBL7540040 0.92 ANPEP (0.46) GAARAB9AFPR2SMN1; SMN2ACE
SCHEMBL7545670 0.92 ANPEP (0.46) GAARAB9AFPR2SMN1; SMN2ACE
SCHEMBL7539014 0.91 HDAC3 (0.39) GAAMAPTHPGDRAB9AHDAC3

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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