SCHEMBL3370165

SCHEMBL3370165

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)NCc1cc2ccccc2oc1=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 11/20 0.46
▸ PTGER4 P35408 3/20 0.45
▸ PSMB8 P28062 1/20 0.45
▸ PSMB9 P28065 1/20 0.45
▸ PSMB5 P28074 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CTSB P07858 1/20 0.45
▸ CTSK P43235 1/20 0.45
▸ CASP7 P55210 7/20 0.44
▸ CASP1 P29466 4/20 0.44
▸ CASP9 P55211 3/20 0.44
▸ CTSD P07339 1/20 0.43

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
SCHEMBL2157993 0.90 CASP3 (0.57) CASP3PTGER4CASP7CASP1CASP9
SCHEMBL4264976 0.83 OPRD1 (0.55) —
SCHEMBL3366840 0.83 CASP1 (0.51) CASP3CASP7CASP1
SCHEMBL5614017 0.83 MAOB (0.41) CASP3PSMB8PSMB5MAOBMEN1
SCHEMBL2157759 0.81 OPRD1 (0.52) —
SCHEMBL14968961 0.80 PTGER4 (0.51) PTGER4CTSBCTSK
SCHEMBL2168561 0.79 CASP3 (0.41) CASP3PTGER4MAOBCASP7CASP1
SCHEMBL3140616 0.78 CASP3 (0.62) CASP3CTSBCTSKCASP7CASP1
SCHEMBL614741 0.78 CASP3 (0.62) CASP3CTSBCTSKCASP7CASP1
SCHEMBL4321426 0.78 BACE1 (0.44) CASP3PTGER4CASP7CASP1CASP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1601764-B1 A CLASS OF METACASPASES VIB VZW (BE) 2010-04-28 — — EP disclosed
US-20060029995-A1 Novel class of metacaspases VLAAMS INTERUNIVERSITAIR INSTITUUT VOOR BIOTECHNOLOGIE VZW (BE) 2006-02-09 — — US disclosed
EP-1601764-A2 A CLASS OF METACASPASES VIB vzw (BE) 2005-12-07 — — EP disclosed
WO-2004081168-A2 A CLASS OF METACASPASES VIB VZW (BE) 2004-09-23 — — WO disclosed
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