SCHEMBL5178281

SCHEMBL5178281

CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)N(C(=O)OC(C)(C)C)C(=O)[C@H](CCC(=O)C=[N+]=[N-])NC(=O)[C@H](C)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@H](C(=O)OC)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 2/20 0.32
▸ CTSK P43235 2/20 0.32
▸ PSENEN Q9NZ42 1/20 0.31
▸ CTSD P07339 3/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ CASP3 P42574 1/20 0.30
▸ CASP4 P49662 1/20 0.30
▸ CASP5 P51878 1/20 0.30
▸ CASP9 P55211 1/20 0.30
▸ CASP6 P55212 1/20 0.30
▸ CASP8 Q14790 1/20 0.30
▸ CASP10 Q92851 1/20 0.30
▸ REN P00797 1/20 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
SCHEMBL5178062 0.81 PSENEN (0.37) CTSBCTSKPSENENCTSDCASP1
SCHEMBL5177734 0.74 ENPEP (0.32) CTSKPSENENCTSDCASP1CASP3
SCHEMBL30544517 0.74 PSENEN (0.47) CTSBCTSKPSENENCTSDCASP1
SCHEMBL30544518 0.74 PSENEN (0.47) CTSBCTSKPSENENCTSDCASP1
SCHEMBL6269573 0.67 — —
SCHEMBL7613504 0.65 PSENEN (0.55) CTSBCTSKPSENENCTSDCASP1
SCHEMBL7613501 0.65 PSENEN (0.55) CTSBCTSKPSENENCTSDCASP1
SCHEMBL6056451 0.65 FNTA (0.40) CTSDREN
SCHEMBL31199140 0.64 OPRK1 (0.41) CTSD
SCHEMBL5176929 0.62 CTSD (0.53) CTSBCTSKPSENENCTSDCASP1

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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