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Sugi Predict / Compounds / SCHEMBL7540879

SCHEMBL7540879

SCHEMBL7540879

CC(C)(C)COc1ccc(CC(NC(=O)[C@@H](OCc2ccccc2)C(C)(C)C)C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 4/20 0.55
▸ ACE P12821 4/20 0.55
▸ CPA1 P15085 4/20 0.55
▸ ACE2 Q9BYF1 4/20 0.55
▸ PPARG P37231 2/20 0.53
▸ ITGB3 P05106 6/20 0.52
▸ ITGA2B P08514 6/20 0.52
▸ GPR34 Q9UPC5 4/20 0.49
▸ MMP9 P14780 1/20 0.47
▸ MMP8 P22894 1/20 0.47

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
SCHEMBL7540882 1.00 MME (0.55) MMEACECPA1ACE2PPARG
SCHEMBL7541085 0.92 ALDH1A1 (0.53) MMEACECPA1ACE2PPARG
SCHEMBL7541086 0.92 ALDH1A1 (0.53) MMEACECPA1ACE2PPARG
SCHEMBL7538685 0.85 ACE (0.55) MMEACECPA1ACE2PPARG
SCHEMBL7538677 0.85 ACE (0.55) MMEACECPA1ACE2PPARG
SCHEMBL7541764 0.84 MME (0.49) MMEACECPA1ACE2PPARG
SCHEMBL7541768 0.84 MME (0.49) MMEACECPA1ACE2PPARG
SCHEMBL7543915 0.81 MME (0.50) MMEACECPA1ACE2PPARG
SCHEMBL7539918 0.81 MME (0.50) MMEACECPA1ACE2PPARG
SCHEMBL7544851 0.77 IL1RN (0.53) MMEACECPA1ACE2PPARG

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