SCHEMBL5491506

SCHEMBL5491506

CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.65
REN P00797 2/20 0.64
CASP3 P42574 2/20 0.63
CASP7 P55210 1/20 0.63
CAPN1 P07384 1/20 0.60
CASP9 P55211 1/20 0.60
CTSB P07858 5/20 0.55
CTSL P07711 4/20 0.55
CTSK P43235 3/20 0.55
CTSS P25774 2/20 0.55
MME P08473 2/20 0.55
ECE1 P42892 2/20 0.55
TACR1 P25103 2/20 0.54

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
SCHEMBL7327620 0.96 CAPN1 (0.64) CASP1RENCASP3CASP7CAPN1
SCHEMBL13355677 0.94 CAPN1 (0.67) CASP1CAPN1CTSBCTSLCTSK
SCHEMBL7204154 0.94 CAPN1 (0.67) CASP1CAPN1CTSBCTSLCTSK
SCHEMBL5686620 0.93 REN (0.65) CASP1RENCASP3CASP7CAPN1
SCHEMBL31397615 0.89 CAPN1 (0.72) CAPN1CTSBCTSLCTSKCTSS
SCHEMBL7281206 0.89 CAPN1 (0.72) CAPN1CTSBCTSLCTSKCTSS
SCHEMBL10967811 0.89 CAPN1 (0.72) CAPN1CTSBCTSLCTSKCTSS
SCHEMBL9088735 0.89 CAPN1 (0.72) CAPN1CTSBCTSLCTSKCTSS
SCHEMBL5484209 0.89 CAPN1 (0.72) CAPN1CTSBCTSLCTSKCTSS
SCHEMBL7888072 0.88 CTSK (0.60) CASP1RENCASP3CASP7CAPN1

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
US-7270801-B2 Fluorogenic or fluorescent reporter molecules and their applications for whole-cell fluorescence screening assays for caspases and other enzymes and the use thereof CYTOVIA, INC. (US) 2007-09-18 US disclosed
EP-1026988-A4 NOVEL FLUORESCENT REPORTER MOLECULES AND THEIR APPLICATIONS INCLUDING ASSAYS FOR CASPASES CYTOVIA INC (US) 2005-03-30 EP disclosed
US-20040191844-A1 Novel fluorogenic or fluorescent reporter molecules and their applications for whole-cell fluorescence screening assays for caspases and other enzymes and the use thereof CYTOVIA, INC. (US) 2004-09-30 US disclosed
US-6759207-B2 REPORTER COMPOUND FOR USE IN THE DIAGNOSIS, DETECTION AND TREATMENT OF CANCER CYTOVIA, INC. 2004-07-06 US disclosed
WO-2003048198-A2 POLYPEPTIDES INDUCING APOPTOSIS, POLYNUCLEOTIDES ENCODING THEM AND THERAPEUTIC USES THEREOF INSTITUT PASTEUR (FR) 2003-06-12 WO disclosed
US-20020150885-A1 Novel fluorogenic or fluorescent reporter molecules and their applications for whole-cell fluorescence screening assays for caspases and other enzymes and the use thereof CYTOVIA, INC. 2002-10-17 US disclosed
US-6342611-B1 BLOCKED RHODAMINE DERIVATIVES CYTOVIA, INC. 2002-01-29 US disclosed
US-6335429-B1 COMPOUND INCLUDING SUBSTRATE FOR ENZYME AND RHODAMINE DYE; DRUG SCREENING FOR ANTICARCINOGENIC AGENTS CYTOVIA, INC. 2002-01-01 US disclosed
EP-1026988-A1 NOVEL FLUORESCENT REPORTER MOLECULES AND THEIR APPLICATIONS INCLUDING ASSAYS FOR CASPASES Cytovia, Inc. (US) 2000-08-16 EP disclosed
WO-1999018856-A1 NOVEL FLUORESCENT REPORTER MOLECULES AND THEIR APPLICATIONS INCLUDING ASSAYS FOR CASPASES CYTOVIA, INC. (US) 1999-04-22 WO disclosed