SCHEMBL7548201

SCHEMBL7548201

Cc1ccc(NC(=NC#N)Nc2ccc(CC(=O)NC(CC(C)C)C(=O)NC(Cc3ccccc3CC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.42
▸ MMP2 P08253 3/20 0.40
▸ CTSK P43235 1/20 0.40
▸ MMP3 P08254 3/20 0.39
▸ MMP1 P03956 1/20 0.39
▸ MME P08473 2/20 0.39
▸ ACE P12821 1/20 0.39
▸ CPA1 P15085 1/20 0.39
▸ ACE2 Q9BYF1 1/20 0.39
▸ REN P00797 1/20 0.39
▸ P2RX7 Q99572 1/20 0.39
▸ ITGB1 P05556 5/20 0.38
▸ ITGA4 P13612 5/20 0.38
▸ CTSB P07858 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ PSMB8 P28062 1/20 0.37
▸ PSMB5 P28074 1/20 0.37
▸ PSMB10 P40306 1/20 0.37
▸ PSMB2 P49721 1/20 0.37
▸ HDAC3 O15379 1/20 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
SCHEMBL7570081 0.96 CTSL (0.43) CTSLMMP2MMP3MMP1MME
SCHEMBL7540085 0.94 CTSL (0.42) CTSLMMP2CTSKMMP3MMP1
SCHEMBL7543417 0.93 CTSL (0.41) CTSLMMP2MMP3MMP1MME
SCHEMBL7545704 0.93 HDAC3 (0.46) CTSLCTSKMMP3MMP1REN
SCHEMBL7541963 0.91 MEN1 (0.42) CTSLMMP2CTSKMMP3MMP1
SCHEMBL7547038 0.90 P2RX7 (0.40) CTSLMMP2CTSKMMP3MMP1
SCHEMBL7545083 0.90 P2RX7 (0.40) CTSLMMP2CTSKMMP3MMP1
SCHEMBL7542429 0.89 P2RX7 (0.40) CTSLMMP2CTSKMMP3MMP1
SCHEMBL7542034 0.89 ITGB1 (0.47) MMP2MMP3MMP1RENITGB1
SCHEMBL7571304 0.88 CTSK (0.41) CTSLMMP2CTSKMMEACE

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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