SCHEMBL7541440

SCHEMBL7541440

CC(C)CC(NC(=O)Cc1ccc(NC(=S)Nc2ccccc2)cc1)C(=O)NC(CCCCC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MMP3 P08254 10/20 0.45
▸ MMP2 P08253 7/20 0.45
▸ MMP1 P03956 2/20 0.45
▸ MMP9 P14780 1/20 0.43
▸ SIRT5 Q9NXA8 1/20 0.42
▸ GAA P10253 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CTSL P07711 1/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ ITGB1 P05556 1/20 0.41
▸ ITGA4 P13612 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
SCHEMBL7541953 0.93 ITGB1 (0.47) MMP3MMP2MMP1MMP9GAA
SCHEMBL7541982 0.91 MMP3 (0.42) MMP3MMP2MMP1GAAMAPT
SCHEMBL7541736 0.91 MMP3 (0.42) MMP3MMP2MMP1GAAMAPT
SCHEMBL7540944 0.90 MMP3 (0.42) MMP3MMP2MMP1GAAMAPT
SCHEMBL7541198 0.90 CTSL (0.43) MMP3MMP2MMP1GAAMAPT
SCHEMBL7541215 0.90 ITGB1 (0.42) MMP3MMP2MMP1GAAMAPT
SCHEMBL7541217 0.90 ITGB1 (0.42) MMP3MMP2MMP1GAAMAPT
SCHEMBL7547312 0.90 MMP3 (0.44) MMP3MMP2MMP1MMP9GAA
SCHEMBL7541030 0.90 MMP3 (0.41) MMP3MMP2MMP1GAAMAPT
SCHEMBL7544953 0.90 MMP3 (0.41) MMP3MMP2MMP1GAAMAPT

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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