SCHEMBL7538619

SCHEMBL7538619

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.40
▸ ITGB1 P05556 6/20 0.37
▸ ITGA4 P13612 6/20 0.37
▸ MMP3 P08254 3/20 0.37
▸ MMP1 P03956 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CTSL P07711 4/20 0.35
▸ ANPEP P15144 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ CTSB P07858 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ MMP9 P14780 1/20 0.34

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
SCHEMBL7538623 1.00 MMP2 (0.40) MMP2ITGB1ITGA4MMP3MMP1
SCHEMBL7544853 0.94 MMP2 (0.42) MMP2ITGB1ITGA4MMP3MMP1
SCHEMBL7544848 0.94 MMP2 (0.42) MMP2ITGB1ITGA4MMP3MMP1
SCHEMBL7538390 0.94 NPY4R (0.40) MMP2ITGB1ITGA4MMP3MMP1
SCHEMBL7538394 0.94 NPY4R (0.40) MMP2ITGB1ITGA4MMP3MMP1
SCHEMBL7544791 0.93 MEN1 (0.39) MMP2ITGB1ITGA4ALDH1A1MAPT
SCHEMBL7542594 0.93 GRN (0.39) MMP2ITGB1ITGA4MMP3MMP1
SCHEMBL7544796 0.93 MEN1 (0.39) MMP2ITGB1ITGA4ALDH1A1MAPT
SCHEMBL7542586 0.93 GRN (0.39) MMP2ITGB1ITGA4MMP3MMP1
SCHEMBL7541538 0.92 ANPEP (0.43) MMP2MMP3MMP1ALDH1A1MAPT

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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