SCHEMBL5746872

SCHEMBL5746872

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

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TASP1 Q9H6P5 1/20 0.61
▸ CASP1 P29466 2/20 0.49
▸ CASP3 P42574 2/20 0.49
▸ CASP4 P49662 2/20 0.49
▸ CASP5 P51878 2/20 0.49
▸ CASP9 P55211 2/20 0.49
▸ CASP6 P55212 2/20 0.49
▸ CASP8 Q14790 2/20 0.49
▸ CASP10 Q92851 2/20 0.49
▸ MAGI3 Q5TCQ9 1/20 0.49
▸ ENPEP Q07075 5/20 0.43
▸ CASP7 P55210 1/20 0.42
▸ GZMB P10144 1/20 0.42

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
SCHEMBL7067113 0.93 TASP1 (0.62) TASP1CASP1CASP3CASP4CASP5
SCHEMBL23133165 0.93 TASP1 (0.52) TASP1CASP1CASP3CASP4CASP5
SCHEMBL2381289 0.93 TASP1 (0.52) TASP1CASP1CASP3CASP4CASP5
SCHEMBL23132679 0.93 TASP1 (0.52) TASP1CASP1CASP3CASP4CASP5
SCHEMBL20257131 0.93 TASP1 (0.52) TASP1CASP1CASP3CASP4CASP5
SCHEMBL23924919 0.93 TASP1 (0.52) TASP1CASP1CASP3CASP4CASP5
SCHEMBL20257263 0.85 TASP1 (0.53) TASP1CASP1CASP3CASP4CASP5
SCHEMBL20257260 0.85 TASP1 (0.53) TASP1CASP1CASP3CASP4CASP5
SCHEMBL15485396 0.85 TASP1 (0.49) TASP1ENPEPGZMB
SCHEMBL23133164 0.85 TASP1 (0.50) TASP1CASP1CASP3CASP4CASP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1517997-A4 LUMINOGENIC PROTEASE SUBSTRATES MOLECULAR DEVICES CORP (US) 2006-11-15 — — EP disclosed
EP-1517997-A2 LUMINOGENIC PROTEASE SUBSTRATES MOLECULAR DEVICES CORPORATION (US) 2005-03-30 — — EP disclosed
WO-2003099780-A2 LUMINOGENIC PROTEASE SUBSTRATES MOLECULAR DEVICES CORPORATION (US) 2003-12-04 — — WO disclosed
Send feedback