SCHEMBL7541030

SCHEMBL7541030

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MMP3 P08254 8/20 0.41
▸ MMP2 P08253 6/20 0.41
▸ MMP1 P03956 1/20 0.41
▸ GAA P10253 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ REN P00797 1/20 0.39
▸ ITGB1 P05556 2/20 0.38
▸ ITGA4 P13612 2/20 0.38
▸ CTSL P07711 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 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
SCHEMBL7542140 0.94 ITGB1 (0.44) MMP3MMP2MMP1RENITGB1
SCHEMBL7541440 0.90 MMP3 (0.45) MMP3MMP2MMP1GAAITGB1
SCHEMBL7540799 0.88 ITGB1 (0.42) MMP3MMP2MMP1ALDH1A1ITGB1
SCHEMBL7546360 0.87 MMP2 (0.39) MMP3MMP2MMP1RENITGB1
SCHEMBL7546365 0.87 MMP2 (0.39) MMP3MMP2MMP1RENITGB1
SCHEMBL7541673 0.87 ANPEP (0.50) MMP3MMP2MMP1ALDH1A1ITGB1
SCHEMBL7547322 0.87 GAA (0.42) MMP3MMP2MMP1GAAALDH1A1
SCHEMBL7541736 0.86 MMP3 (0.42) MMP3MMP2MMP1GAAITGB1
SCHEMBL7541982 0.86 MMP3 (0.42) MMP3MMP2MMP1GAAITGB1
SCHEMBL7540944 0.86 MMP3 (0.42) MMP3MMP2MMP1GAAREN

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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