SCHEMBL7569173

SCHEMBL7569173

CC(C)CC(C(=O)NC(Cc1ccccc1CC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O)c1ccc(NC(=NC#N)Nc2ccc(O)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 3/20 0.41
▸ CTSS P25774 2/20 0.41
▸ CTSL P07711 2/20 0.37
▸ ACE P12821 3/20 0.37
▸ REN P00797 1/20 0.36
▸ MME P08473 2/20 0.36
▸ CPA1 P15085 1/20 0.36
▸ ACE2 Q9BYF1 1/20 0.36
▸ MMP2 P08253 3/20 0.35
▸ MMP9 P14780 3/20 0.35
▸ MMP7 P09237 1/20 0.35
▸ MMP12 P39900 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ MMP1 P03956 3/20 0.35
▸ MMP8 P22894 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ECE1 P42892 2/20 0.35

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 0.96 CTSK (0.43) CTSKCTSSCTSLACEREN
SCHEMBL7571304 0.94 CTSK (0.41) CTSKCTSSCTSLACEREN
SCHEMBL7571661 0.93 CTSK (0.40) CTSKCTSSCTSLACEREN
SCHEMBL7570635 0.92 MMP1 (0.41) CTSKCTSSCTSLRENMMP9
SCHEMBL7569100 0.90 CTSK (0.38) CTSKCTSSCTSLACEREN
SCHEMBL7542622 0.90 CTSK (0.39) CTSKCTSSCTSLMMP9MMP1
SCHEMBL7538346 0.89 CTSK (0.38) CTSKCTSSCTSLACEGAA
SCHEMBL7541819 0.89 ACE (0.41) CTSKCTSSACERENMME
SCHEMBL7540085 0.88 CTSL (0.42) CTSKCTSSCTSLACEREN
SCHEMBL7546039 0.87 CTSK (0.43) CTSKCTSSCTSLACEREN

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