SCHEMBL7540008

SCHEMBL7540008

CC(C)CC(C(=O)NC(Cc1ccc(CCC(=O)O)cc1)C(=O)O)c1ccc(NC(=S)Nc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MMP3 P08254 4/20 0.50
▸ MMP2 P08253 3/20 0.49
▸ ACE P12821 3/20 0.47
▸ MME P08473 2/20 0.47
▸ CPA1 P15085 2/20 0.47
▸ ACE2 Q9BYF1 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ FOLH1 Q04609 1/20 0.44
▸ MMP7 P09237 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MMP12 P39900 1/20 0.44
▸ MMP13 P45452 1/20 0.44

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
SCHEMBL7541870 0.92 FOLH1 (0.54) MMP3MMP2ACEMMECPA1
SCHEMBL7538785 0.92 FOLH1 (0.54) MMP3MMP2ACEMMECPA1
SCHEMBL7541912 0.86 MME (0.48) MMP3MMP2ACEMMECPA1
SCHEMBL7547257 0.85 FOLH1 (0.55) MMP3MMP2ACEMMECPA1
SCHEMBL7546158 0.85 FOLH1 (0.53) MMP3MMP2ACEMMECPA1
SCHEMBL7538353 0.85 MMP3 (0.51) MMP3MMP2ACEMMECPA1
SCHEMBL7543498 0.85 MMP3 (0.45) MMP3MMP2ACEMMECPA1
SCHEMBL7543503 0.85 MMP3 (0.45) MMP3MMP2ACEMMECPA1
SCHEMBL7547307 0.85 FOLH1 (0.52) MMP3MMP2ACEMMECPA1
SCHEMBL7538694 0.84 FOLH1 (0.59) ACEMMECPA1ACE2FOLH1

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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