SCHEMBL7563255

SCHEMBL7563255

COc1ccc(NC(=NC#N)Nc2ccc(C(CC(C)C)C(=O)NC(CCSCC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.38
▸ ANPEP P15144 1/20 0.37
▸ CTSK P43235 3/20 0.36
▸ CTSS P25774 2/20 0.36
▸ CTSL P07711 1/20 0.36
▸ CTSB P07858 1/20 0.36
▸ MMP1 P03956 4/20 0.34
▸ PPARG P37231 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MMP3 P08254 2/20 0.32
▸ MMP2 P08253 2/20 0.32
▸ MMP7 P09237 1/20 0.32
▸ MMP8 P22894 1/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ FPR2 P25090 1/20 0.32

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
SCHEMBL7564982 0.93 CTSK (0.40) ACECTSKCTSSCTSLCTSB
SCHEMBL7571448 0.92 CTSK (0.35) ACECTSKCTSSCTSLCTSB
SCHEMBL7568185 0.92 CTSK (0.35) ACECTSKCTSSCTSLCTSB
SCHEMBL7566382 0.91 ACE (0.36) ACECTSKCTSSCTSLPPARG
SCHEMBL7541309 0.91 ANPEP (0.40) ANPEPCTSKCTSSCTSLCTSB
SCHEMBL7540040 0.90 ANPEP (0.46) ACEANPEPMMP1PPARGPPARA
SCHEMBL7545670 0.90 ANPEP (0.46) ACEANPEPMMP1PPARGPPARA
SCHEMBL7565475 0.89 ACE (0.39) ACECTSKCTSSCTSLMMP1
SCHEMBL7567398 0.88 ANPEP (0.38) ANPEPCTSKCTSSCTSLCTSB
SCHEMBL7540764 0.88 ANPEP (0.38) ANPEPCTSKCTSSCTSLCTSB

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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