SCHEMBL5481930

SCHEMBL5481930

CCOCCOCCOCOC(=O)Cl

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
TSHR P16473 4/20 0.50
THRB P10828 1/20 0.44
EPHX2 P34913 5/20 0.34
HSD17B10 Q99714 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
ALOX15 P16050 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
SOAT1 P35610 1/20 0.31

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
SCHEMBL1021404 0.86 ALDH1A1 (0.60) ALDH1A1TSHRTHRBEPHX2HSD17B10
SCHEMBL9333278 0.86 ALDH1A1 (0.60) ALDH1A1TSHRTHRBEPHX2HSD17B10
SCHEMBL554266 0.86
SCHEMBL616408 0.84
SCHEMBL29061179 0.82 ALDH1A1 (0.54) ALDH1A1TSHRTHRBEPHX2HSD17B10
SCHEMBL29061180 0.80 ALDH1A1 (0.52) ALDH1A1TSHRTHRBEPHX2HSD17B10
SCHEMBL8504058 0.78 ALDH1A1 (0.45) ALDH1A1TSHRTHRBEPHX2
SCHEMBL9194711 0.77 ALDH1A1 (0.74) ALDH1A1TSHRTHRBHSD17B10LMNA
SCHEMBL9447590 0.77 CES2 (0.48) ALDH1A1TSHRTHRBTP53
SCHEMBL8506799 0.76 ALDH1A1 (0.46) ALDH1A1TSHRTHRBEPHX2HSD17B10

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
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
CN-1281346-A Novel fluorescent reporter molecules and their applications, including assays for caspases CYTOVIA INC (US) 2001-01-24 CN 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