SCHEMBL7541133

SCHEMBL7541133

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

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 6/20 0.39
▸ MMP3 P08254 7/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ ADRB2 P07550 2/20 0.38
▸ ADRB1 P08588 2/20 0.38
▸ ADRB3 P13945 2/20 0.38
▸ ITGB1 P05556 4/20 0.37
▸ ITGA4 P13612 4/20 0.37
▸ CTSL P07711 5/20 0.37
▸ CTSB P07858 4/20 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
SCHEMBL7542683 1.00 MMP2 (0.39) MMP2MMP3MMP1ADRB2ADRB1
SCHEMBL7542670 1.00 MMP2 (0.39) MMP2MMP3MMP1ADRB2ADRB1
SCHEMBL7541125 1.00 MMP2 (0.39) MMP2MMP3MMP1ADRB2ADRB1
SCHEMBL7539228 0.95 CTSL (0.34) MMP2MMP3MMP1ADRB2ADRB1
SCHEMBL7544877 0.95 CTSL (0.34) MMP2MMP3MMP1ADRB2ADRB1
SCHEMBL7539234 0.95 CTSL (0.34) MMP2MMP3MMP1ADRB2ADRB1
SCHEMBL7544874 0.95 CTSL (0.34) MMP2MMP3MMP1ADRB2ADRB1
SCHEMBL7541735 0.95 MMP2 (0.37) MMP2MMP3MMP1ADRB2ADRB1
SCHEMBL7541724 0.95 MMP2 (0.37) MMP2MMP3MMP1ADRB2ADRB1
SCHEMBL7544707 0.95 MMP2 (0.37) MMP2MMP3MMP1ADRB2ADRB1

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
Send feedback