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SCHEMBL7546360

SCHEMBL7546360

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

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 6/20 0.39
▸ MMP3 P08254 8/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ CTSL P07711 7/20 0.38
▸ CTSB P07858 6/20 0.38
▸ ITGB1 P05556 2/20 0.37
▸ ITGA4 P13612 2/20 0.37
▸ REN P00797 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
SCHEMBL7546365 1.00 MMP2 (0.39) MMP2MMP3MMP1CTSLCTSB
SCHEMBL7541227 0.95 MMP2 (0.37) MMP2MMP3MMP1CTSLCTSB
SCHEMBL7538388 0.94 CTSL (0.38) MMP2MMP3MMP1CTSLCTSB
SCHEMBL7538392 0.94 CTSL (0.38) MMP2MMP3MMP1CTSLCTSB
SCHEMBL7540807 0.94 ANPEP (0.40) MMP2MMP3MMP1CTSLCTSB
SCHEMBL7544848 0.91 MMP2 (0.42) MMP2MMP3MMP1CTSLCTSB
SCHEMBL7544853 0.91 MMP2 (0.42) MMP2MMP3MMP1CTSLCTSB
SCHEMBL7542140 0.89 ITGB1 (0.44) MMP2MMP3MMP1ITGB1ITGA4
SCHEMBL7543387 0.88 MMP2 (0.40) MMP2MMP3MMP1CTSLCTSB
SCHEMBL7543392 0.88 MMP2 (0.40) MMP2MMP3MMP1CTSLCTSB

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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