SCHEMBL7538529

SCHEMBL7538529

Cc1ccc(N/C(=C/[N+](=O)[O-])Nc2ccc(CC(=O)NC(CC(C)C)C(=O)NC(Cc3ccccc3CC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 3/20 0.41
▸ ITGB1 P05556 5/20 0.39
▸ ITGA4 P13612 5/20 0.39
▸ MMP3 P08254 4/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ REN P00797 1/20 0.38
▸ CTSL P07711 6/20 0.38
▸ CTSB P07858 6/20 0.37
▸ PSMB8 P28062 1/20 0.36
▸ PSMB5 P28074 1/20 0.36
▸ PSMB10 P40306 1/20 0.36
▸ PSMB2 P49721 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 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
SCHEMBL7538534 1.00 MMP2 (0.41) MMP2ITGB1ITGA4MMP3MMP1
SCHEMBL7540598 0.94 ACE (0.39) MMP2ITGB1ITGA4MMP3MMP1
SCHEMBL7540592 0.94 ACE (0.39) MMP2ITGB1ITGA4MMP3MMP1
SCHEMBL7538783 0.93 PSMB11 (0.39) MMP2ITGB1ITGA4MMP3MMP1
SCHEMBL7538788 0.93 PSMB11 (0.39) MMP2ITGB1ITGA4MMP3MMP1
SCHEMBL7548177 0.93 MEN1 (0.43) MMP2ITGB1ITGA4MMP3MMP1
SCHEMBL7548182 0.93 MEN1 (0.43) MMP2ITGB1ITGA4MMP3MMP1
SCHEMBL7543373 0.93 HDAC3 (0.45) MMP3MMP1RENPSMB8PSMB5
SCHEMBL7543377 0.93 HDAC3 (0.45) MMP3MMP1RENPSMB8PSMB5
SCHEMBL7539469 0.90 MMP2 (0.38) MMP2ITGB1ITGA4MMP3MMP1

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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