SCHEMBL3366840

SCHEMBL3366840

CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)NCc1cc2ccccc2oc1=O)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 3/20 0.51
▸ BACE1 P56817 3/20 0.50
▸ BACE2 Q9Y5Z0 3/20 0.50
▸ OPRD1 P41143 3/20 0.49
▸ CASP3 P42574 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ KDR P35968 1/20 0.43
▸ IL23R Q5VWK5 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
SCHEMBL4264976 0.92 OPRD1 (0.55) BACE1BACE2OPRD1
SCHEMBL2157759 0.89 OPRD1 (0.52) BACE1BACE2OPRD1
SCHEMBL2168561 0.85 CASP3 (0.41) CASP1BACE1BACE2CASP3CASP7
SCHEMBL3370165 0.83 CASP3 (0.46) CASP1CASP3CASP7
SCHEMBL2332848 0.81 OPRM1 (0.47) BACE1BACE2OPRD1KDR
SCHEMBL77937 0.80 OPRD1 (0.51) CASP1BACE1BACE2OPRD1CASP3
SCHEMBL5614017 0.80 MAOB (0.41) BACE1CASP3
SCHEMBL14655975 0.80 KDR (0.41) BACE1BACE2OPRD1KDR
SCHEMBL2383875 0.79 MEN1 (0.47) OPRD1KDR
SCHEMBL9241543 0.78 CASP1 (0.67) CASP1BACE1BACE2OPRD1CASP3

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 10 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-20070271634-A1 Preventing stress-induced apoptosis in plants DICKMAN MARTIN B 2007-11-22 — — US disclosed
US-20060029995-A1 Novel class of metacaspases VLAAMS INTERUNIVERSITAIR INSTITUUT VOOR BIOTECHNOLOGIE VZW (BE) 2006-02-09 — — US disclosed
US-6762045-B2 NUCLEOTIDE SEQUENCES CODING MEMBRANE PROTEIN FOR USE IN THE TREATMENT AUTOIMMUNE DISEASE, CANCER, VIRAL AND BACTERIAL INFECTIONS IDUN PHARMACEUTICALS, INC. 2004-07-13 — — US disclosed
US-20020197702-A1 Membrane derived caspase-3, compositions comprising the same and methods of use therefor IDUN PHARMACEUTICALS, INC. (US) 2002-12-26 — — US disclosed
US-20020155579-A1 Membrane derived caspase-3, compositions comprising the same and methods of use therefor IDUN PHARMACEUTICALS, INC. (US) 2002-10-24 — — US disclosed
US-20020090666-A1 Methods for detecting membrane derived caspase activity and modulators thereof IDUN PHARMACEUTICALS, INC. (US) 2002-07-11 — — US disclosed
US-6391575-B1 SCREENING FOR ENZYME INHIBITORS BY CONTACTING MEMBRANE FRACTION WITH SUBSTRATE IN PRESENCE AND ABSENCE OF COMPOUND, THEN COMPARING LEVELS OF SUBSTRATE TURNOVER IDUN PHARMACEUTICALS, INC. 2002-05-21 — — US disclosed
EP-1161556-A2 METHODS FOR DETECTING MEMBRANE DERIVED CASPASE ACTIVITY AND MODULATORS THEREOF Idun Pharmaceuticals, Inc. (US) 2001-12-12 — — EP disclosed
WO-2000052194-A2 METHODS FOR DETECTING MEMBRANE DERIVED CASPASE ACTIVITY AND MODULATORS THEREOF IDUN PHARMACEUTICALS, INC. (US) 2000-09-08 — — WO disclosed
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