SCHEMBL7544798

SCHEMBL7544798

CC(C)C[C@H](C(=O)N[C@@H](Cc1ccc(CCC=O)cc1)C(=O)O)c1ccc(NC(=O)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ACE P12821 3/20 0.45
▸ MME P08473 2/20 0.45
▸ CPA1 P15085 2/20 0.45
▸ ACE2 Q9BYF1 2/20 0.45
▸ MMP9 P14780 2/20 0.44
▸ ITGB3 P05106 2/20 0.42
▸ ITGB1 P05556 2/20 0.42
▸ ITGAV P06756 2/20 0.42
▸ ITGA2B P08514 2/20 0.42
▸ ITGB5 P18084 2/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ MMP7 P09237 1/20 0.42
▸ MMP12 P39900 1/20 0.42
▸ MMP13 P45452 1/20 0.42
▸ ITGA4 P13612 1/20 0.42
▸ PSMB5 P28074 2/20 0.41
▸ FOLH1 Q04609 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
SCHEMBL7544794 0.85 ACE (0.45) ACEMMECPA1ACE2MMP9
SCHEMBL7542675 0.80 ALDH1A1 (0.44) MEN1KMT2AMMP2
SCHEMBL7542685 0.80 ALDH1A1 (0.44) MEN1KMT2AMMP2
SCHEMBL7542673 0.80 ALDH1A1 (0.44) MEN1KMT2AMMP2
SCHEMBL7541870 0.80 FOLH1 (0.54) ACEMMECPA1ACE2MMP9
SCHEMBL7538785 0.80 FOLH1 (0.54) ACEMMECPA1ACE2MMP9
SCHEMBL7540008 0.79 MMP3 (0.50) ACEMMECPA1ACE2MMP9
SCHEMBL7546158 0.76 FOLH1 (0.53) ACEMMECPA1ACE2MMP9
SCHEMBL7547257 0.76 FOLH1 (0.55) ACEMMECPA1ACE2MMP2
SCHEMBL7543503 0.76 MMP3 (0.45) ACEMMECPA1ACE2MMP9

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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