SCHEMBL5178062

SCHEMBL5178062

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)N(C(=O)OC(C)(C)C)C(=O)[C@@H](N)CCC(=O)C=[N+]=[N-])C(=O)N[C@H](C(=O)OC)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PSENEN Q9NZ42 1/20 0.37
▸ CTSD P07339 8/20 0.35
▸ REN P00797 1/20 0.34
▸ CASP1 P29466 1/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ CASP4 P49662 1/20 0.31
▸ CASP5 P51878 1/20 0.31
▸ CASP9 P55211 1/20 0.31
▸ CASP6 P55212 1/20 0.31
▸ CASP8 Q14790 1/20 0.31
▸ CASP10 Q92851 1/20 0.31
▸ CTSB P07858 2/20 0.30
▸ CTSK P43235 2/20 0.30

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
SCHEMBL5177734 0.93 ENPEP (0.32) PSENENCTSDCASP1CASP3CASP4
SCHEMBL6269573 0.81 — —
SCHEMBL5178281 0.81 CTSB (0.32) PSENENCTSDRENCASP1CASP3
SCHEMBL30544517 0.80 PSENEN (0.47) PSENENCTSDRENCASP1CASP3
SCHEMBL30544518 0.80 PSENEN (0.47) PSENENCTSDRENCASP1CASP3
SCHEMBL7613501 0.69 PSENEN (0.55) PSENENCTSDRENCASP1CASP3
SCHEMBL7613504 0.69 PSENEN (0.55) PSENENCTSDRENCASP1CASP3
SCHEMBL20338802 0.67 HDAC6 (0.31) —
SCHEMBL20338800 0.67 HDAC6 (0.31) —
SCHEMBL5176929 0.67 CTSD (0.53) PSENENCTSDRENCASP1CASP3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1602719-B1 Control of transglutaminase catalyzed protein modification by selective irreversible transglutaminase inhibitors N ZYME BIOTEC GMBH (DE) 2007-06-06 — — EP claimed
EP-1602719-A1 Control of transglutaminase catalyzed protein modification by selective irreversible transglutaminase inhibitors N-Zyme BioTec GmbH (DE) 2005-12-07 — — EP claimed
EP-1600504-A1 Control of transglutaminase catalyzed protein modification by selective irreversible transglutaminase inhibitors N-Zyme BioTec GmbH (DE) 2005-11-30 — — EP claimed
EP-1602719-B1 Control of transglutaminase catalyzed protein modification by selective irreversible transglutaminase inhibitors N ZYME BIOTEC GMBH (DE) 2007-06-06 — — EP disclosed
EP-1602719-A1 Control of transglutaminase catalyzed protein modification by selective irreversible transglutaminase inhibitors N-Zyme BioTec GmbH (DE) 2005-12-07 — — EP disclosed
EP-1600504-A1 Control of transglutaminase catalyzed protein modification by selective irreversible transglutaminase inhibitors N-Zyme BioTec GmbH (DE) 2005-11-30 — — EP disclosed
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