SCHEMBL7543498

SCHEMBL7543498

CC(C)CC(C(=O)NC(Cc1ccc(CCC(=O)O)cc1)C(=O)O)c1ccc(N/C(=C/[N+](=O)[O-])Nc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MMP3 P08254 4/20 0.45
▸ MMP2 P08253 3/20 0.45
▸ ACE P12821 3/20 0.43
▸ MME P08473 2/20 0.43
▸ CPA1 P15085 2/20 0.43
▸ ACE2 Q9BYF1 2/20 0.43
▸ FOLH1 Q04609 1/20 0.40
▸ MMP7 P09237 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP12 P39900 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ CTSL P07711 1/20 0.39
▸ CTSB P07858 1/20 0.39

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
SCHEMBL7543503 1.00 MMP3 (0.45) MMP3MMP2ACEMMECPA1
SCHEMBL7539815 0.94 FOLH1 (0.39) MMP3MMP2ACEMMECPA1
SCHEMBL7547273 0.94 FOLH1 (0.45) MMP3MMP2ACEMMECPA1
SCHEMBL7547266 0.94 FOLH1 (0.45) MMP3MMP2ACEMMECPA1
SCHEMBL7539811 0.94 FOLH1 (0.39) MMP3MMP2ACEMMECPA1
SCHEMBL7542526 0.93 MMP1 (0.39) MMP3MMP2ACEMMECPA1
SCHEMBL7542518 0.93 MMP1 (0.39) MMP3MMP2ACEMMECPA1
SCHEMBL7543339 0.93 MAPT (0.40) MMP3MMP2ACEMMECPA1
SCHEMBL7543337 0.93 MAPT (0.40) MMP3MMP2ACEMMECPA1
SCHEMBL7547049 0.92 MMP1 (0.45) MMP3MMP2MMP7MMP9MMP13

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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