SCHEMBL7542518

SCHEMBL7542518

CC(C)CC(C(=O)NC(Cc1ccc(CCC(=O)O)cc1)C(=O)O)c1ccc(N/C(=C/[N+](=O)[O-])Nc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 2/20 0.39
▸ FCER2 P06734 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ FOLH1 Q04609 1/20 0.39
▸ MMP3 P08254 3/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ ACE P12821 2/20 0.38
▸ CTSL P07711 4/20 0.38
▸ MME P08473 1/20 0.38
▸ CPA1 P15085 1/20 0.38
▸ ACE2 Q9BYF1 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ BACE1 P56817 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL7542526 1.00 MMP1 (0.39) MMP1FCER2CA2FOLH1MMP3
SCHEMBL7543503 0.93 MMP3 (0.45) FOLH1MMP3MMP2ACECTSL
SCHEMBL7543498 0.93 MMP3 (0.45) FOLH1MMP3MMP2ACECTSL
SCHEMBL7547273 0.93 FOLH1 (0.45) CA2FOLH1MMP3MMP2ACE
SCHEMBL7539815 0.93 FOLH1 (0.39) FOLH1MMP3MMP2ACECTSL
SCHEMBL7539811 0.93 FOLH1 (0.39) FOLH1MMP3MMP2ACECTSL
SCHEMBL7547266 0.93 FOLH1 (0.45) CA2FOLH1MMP3MMP2ACE
SCHEMBL7543339 0.92 MAPT (0.40) FOLH1MMP3MMP2TRPV1ACE
SCHEMBL7543337 0.92 MAPT (0.40) FOLH1MMP3MMP2TRPV1ACE
SCHEMBL7545943 0.91 FOLH1 (0.48) MMP1FCER2CA2FOLH1MMP3

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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