SCHEMBL7541782

SCHEMBL7541782

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 1/20 0.40
▸ CTSK P43235 11/20 0.38
▸ CTSS P25774 7/20 0.38
▸ CTSL P07711 6/20 0.38
▸ CTSB P07858 1/20 0.38
▸ MMP1 P03956 4/20 0.36
▸ MMP3 P08254 2/20 0.34
▸ FPR2 P25090 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MMP2 P08253 2/20 0.34
▸ MMP7 P09237 1/20 0.34
▸ MMP8 P22894 1/20 0.34
▸ MMP13 P45452 1/20 0.34

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
SCHEMBL7540886 0.92 CTSK (0.43) CTSKCTSSCTSLCTSBMMP1
SCHEMBL7541309 0.92 ANPEP (0.40) ANPEPCTSKCTSSCTSLCTSB
SCHEMBL7538346 0.91 CTSK (0.38) CTSKCTSSCTSLCTSBFPR2
SCHEMBL7541120 0.91 CTSK (0.38) CTSKCTSSCTSLCTSBFPR2
SCHEMBL7541723 0.91 CTSK (0.38) CTSKCTSSCTSLCTSBFPR2
SCHEMBL7570635 0.89 MMP1 (0.41) ANPEPCTSKCTSSCTSLCTSB
SCHEMBL7567398 0.89 ANPEP (0.38) ANPEPCTSKCTSSCTSLCTSB
SCHEMBL7540764 0.89 ANPEP (0.38) ANPEPCTSKCTSSCTSLCTSB
SCHEMBL7567905 0.88 ANPEP (0.38) ANPEPCTSKCTSSCTSLCTSB
SCHEMBL7573608 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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