SCHEMBL7541735

SCHEMBL7541735

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

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.37
▸ ITGB1 P05556 8/20 0.35
▸ ITGA4 P13612 8/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ MMP3 P08254 1/20 0.35
▸ CTSL P07711 4/20 0.33
▸ ADRB2 P07550 2/20 0.33
▸ ADRB1 P08588 2/20 0.33
▸ ADRB3 P13945 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CTSB P07858 3/20 0.33
▸ LMNA P02545 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ ANPEP P15144 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL7541724 1.00 MMP2 (0.37) MMP2ITGB1ITGA4MMP1MMP3
SCHEMBL7544707 1.00 MMP2 (0.37) MMP2ITGB1ITGA4MMP1MMP3
SCHEMBL7542683 0.95 MMP2 (0.39) MMP2ITGB1ITGA4MMP1MMP3
SCHEMBL7542670 0.95 MMP2 (0.39) MMP2ITGB1ITGA4MMP1MMP3
SCHEMBL7541133 0.95 MMP2 (0.39) MMP2ITGB1ITGA4MMP1MMP3
SCHEMBL7541125 0.95 MMP2 (0.39) MMP2ITGB1ITGA4MMP1MMP3
SCHEMBL7544874 0.94 CTSL (0.34) MMP2ITGB1ITGA4MMP1MMP3
SCHEMBL7539228 0.94 CTSL (0.34) MMP2ITGB1ITGA4MMP1MMP3
SCHEMBL7544877 0.94 CTSL (0.34) MMP2ITGB1ITGA4MMP1MMP3
SCHEMBL7539234 0.94 CTSL (0.34) MMP2ITGB1ITGA4MMP1MMP3

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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