SCHEMBL7540480

SCHEMBL7540480

COc1ccc([C@@H](CC(C)C)C(=O)NCCCSC[C@H](NC(=O)CC(C)(C)C)C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.43
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ CTSS P25774 7/20 0.38
▸ CTSL P07711 6/20 0.38
▸ ANPEP P15144 2/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ CTSK P43235 7/20 0.37
▸ FNTA P49354 1/20 0.37
▸ FNTB P49356 1/20 0.37
▸ PGGT1B P53609 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ CTSB P07858 1/20 0.36
▸ GAA P10253 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
SCHEMBL7538967 1.00 ACE (0.43) ACEPPARGPPARACTSSCTSL
SCHEMBL7538954 1.00 ACE (0.43) ACEPPARGPPARACTSSCTSL
SCHEMBL7539215 0.93 TAS1R3 (0.39) ACECTSSCTSLANPEPMMP1
SCHEMBL7540489 0.93 TAS1R3 (0.39) ACECTSSCTSLANPEPMMP1
SCHEMBL7539213 0.93 TAS1R3 (0.39) ACECTSSCTSLANPEPMMP1
SCHEMBL7541746 0.90 FOLH1 (0.39) ACECTSSCTSLCTSK
SCHEMBL7541752 0.90 FOLH1 (0.39) ACECTSSCTSLCTSK
SCHEMBL7541757 0.90 FOLH1 (0.39) ACECTSSCTSLCTSK
SCHEMBL7538636 0.85 CTSS (0.33) CTSSCTSLANPEPMMP1CTSK
SCHEMBL7538631 0.85 CTSS (0.33) CTSSCTSLANPEPMMP1CTSK

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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