SCHEMBL7571304

SCHEMBL7571304

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 5/20 0.41
▸ CTSS P25774 3/20 0.41
▸ CTSL P07711 4/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MAPT P10636 2/20 0.36
▸ REN P00797 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ MME P08473 3/20 0.36
▸ ACE P12821 2/20 0.36
▸ CPA1 P15085 2/20 0.36
▸ ACE2 Q9BYF1 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ MMP2 P08253 3/20 0.35
▸ MMP9 P14780 2/20 0.35
▸ MMP7 P09237 1/20 0.35
▸ MMP12 P39900 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ GAA P10253 1/20 0.35

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
SCHEMBL7543803 0.96 CTSK (0.43) CTSKCTSSCTSLMAPTREN
SCHEMBL7569173 0.94 CTSK (0.41) CTSKCTSSCTSLMAPTREN
SCHEMBL7571661 0.93 CTSK (0.40) CTSKCTSSCTSLMAPTREN
SCHEMBL7570635 0.92 MMP1 (0.41) CTSKCTSSCTSLRENMMP9
SCHEMBL7569100 0.90 CTSK (0.38) CTSKCTSSCTSLMAPTREN
SCHEMBL7547045 0.90 CTSK (0.39) CTSKCTSSCTSLSMN1; SMN2MAPT
SCHEMBL7541120 0.89 CTSK (0.38) CTSKCTSSCTSLSMN1; SMN2MAPT
SCHEMBL7547224 0.89 SMN1; SMN2 (0.41) SMN1; SMN2MAPTRENLMNAHTT
SCHEMBL7548201 0.88 CTSL (0.42) CTSKCTSSCTSLRENMME
SCHEMBL7546039 0.87 CTSK (0.43) CTSKCTSSCTSLMAPTREN

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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