SCHEMBL7569100

SCHEMBL7569100

CC(C)CC(C(=O)NC(Cc1ccccc1CC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O)c1ccc(NC(=NC#N)Nc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 3/20 0.38
▸ CTSS P25774 3/20 0.38
▸ MMP2 P08253 5/20 0.38
▸ MMP1 P03956 2/20 0.37
▸ FCER2 P06734 1/20 0.37
▸ CTSL P07711 2/20 0.35
▸ MMP14 P50281 1/20 0.35
▸ FPR1 P21462 2/20 0.34
▸ FPR2 P25090 2/20 0.34
▸ REN P00797 1/20 0.34
▸ MME P08473 1/20 0.34
▸ ACE P12821 1/20 0.34
▸ CPA1 P15085 1/20 0.34
▸ ACE2 Q9BYF1 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ECE1 P42892 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MMP9 P14780 2/20 0.33
▸ CTSB P07858 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
SCHEMBL7543803 0.93 CTSK (0.43) CTSKCTSSMMP2MMP1CTSL
SCHEMBL7539988 0.90 PDF (0.38) CTSKCTSSMMP1FCER2CTSL
SCHEMBL7569173 0.90 CTSK (0.41) CTSKCTSSMMP2MMP1CTSL
SCHEMBL7571304 0.90 CTSK (0.41) CTSKCTSSMMP2CTSLREN
SCHEMBL7547089 0.90 CTSS (0.35) CTSKCTSSMMP1FCER2CTSL
SCHEMBL7571661 0.90 CTSK (0.40) CTSKCTSSMMP2MMP1CTSL
SCHEMBL7546030 0.89 MEN1 (0.42) MMP2MMP1FCER2MMP14FPR2
SCHEMBL7541963 0.89 MEN1 (0.42) CTSKCTSSMMP2MMP1FCER2
SCHEMBL7570635 0.88 MMP1 (0.41) CTSKCTSSMMP1CTSLFPR2
SCHEMBL7567387 0.87 CTSS (0.34) CTSKCTSSMMP1FCER2CTSL

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