SCHEMBL7573608

SCHEMBL7573608

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 1/20 0.38
▸ CTSK P43235 11/20 0.36
▸ CTSS P25774 7/20 0.36
▸ CTSL P07711 6/20 0.36
▸ CTSB P07858 1/20 0.36
▸ MMP1 P03956 4/20 0.34
▸ MMP3 P08254 2/20 0.34
▸ MMP2 P08253 2/20 0.32
▸ MMP7 P09237 1/20 0.32
▸ MMP8 P22894 1/20 0.32
▸ MMP13 P45452 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
SCHEMBL7567905 1.00 ANPEP (0.38) ANPEPCTSKCTSSCTSLCTSB
SCHEMBL7564315 0.93 CTSK (0.40) CTSKCTSSCTSLCTSBMMP1
SCHEMBL7565424 0.93 CTSK (0.40) CTSKCTSSCTSLCTSBMMP1
SCHEMBL7565354 0.92 CTSK (0.36) CTSKCTSSCTSLCTSB
SCHEMBL7565898 0.92 CTSK (0.36) CTSKCTSSCTSLCTSBMMP2
SCHEMBL7565029 0.92 CTSK (0.36) CTSKCTSSCTSLCTSB
SCHEMBL7567146 0.92 CTSK (0.36) CTSKCTSSCTSLCTSBMMP2
SCHEMBL7541309 0.92 ANPEP (0.40) ANPEPCTSKCTSSCTSLCTSB
SCHEMBL7568018 0.91 CTSK (0.35) CTSKCTSSCTSLCTSB
SCHEMBL7566389 0.91 CTSK (0.35) CTSKCTSSCTSLCTSB

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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