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SCHEMBL7543915

SCHEMBL7543915

CC(C)COc1ccc(CC(NC(=O)[C@@H](OCc2ccc3ccccc3c2)C(C)(C)C)C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 11/20 0.50
▸ ACE P12821 10/20 0.50
▸ CPA1 P15085 7/20 0.50
▸ ACE2 Q9BYF1 7/20 0.50
▸ ITGB3 P05106 1/20 0.46
▸ ITGA2B P08514 1/20 0.46
▸ MAOB P27338 1/20 0.45
▸ PTPN1 P18031 2/20 0.45
▸ ADAM17 P78536 1/20 0.44
▸ PPARG P37231 1/20 0.43

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
SCHEMBL7539918 1.00 MME (0.50) MMEACECPA1ACE2ITGB3
SCHEMBL7538682 0.92 ALDH1A1 (0.46) MAOBADAM17PPARG
SCHEMBL7538679 0.92 ALDH1A1 (0.46) MAOBADAM17PPARG
SCHEMBL7540879 0.81 MME (0.55) MMEACECPA1ACE2ITGB3
SCHEMBL7540882 0.81 MME (0.55) MMEACECPA1ACE2ITGB3
SCHEMBL7543579 0.76 SLC1A3 (0.59) MAOBADAM17PPARG
SCHEMBL7543577 0.76 SLC1A3 (0.59) MAOBADAM17PPARG
SCHEMBL7541764 0.75 MME (0.49) MMEACECPA1ACE2ITGB3
SCHEMBL7541768 0.75 MME (0.49) MMEACECPA1ACE2ITGB3
SCHEMBL8893622 0.74 MME (0.51) MMEACECPA1ACE2ITGB3

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