SCHEMBL7517437

SCHEMBL7517437

COC(=O)c1ccc(C)c(C(C)(C)C)c1O[SiH](C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CA5A P35218 1/20 0.36
NR4A2 P43354 3/20 0.35
KDR P35968 1/20 0.35
CA12 O43570 1/20 0.35
CA7 P43166 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK4 Q16654 1/20 0.35
CA14 Q9ULX7 1/20 0.35
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 3/20 0.33
GLA P06280 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CFTR P13569 2/20 0.33
MAPT P10636 2/20 0.33
TSHR P16473 2/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL4330973 0.84 ABL1 (0.38) CA1CA2CA9NR4A2CA12
SCHEMBL7517349 0.84 KDM4E (0.37) CA1CA2CA9CA12CA7
SCHEMBL8700877 0.84 L3MBTL1 (0.34)
SCHEMBL4338768 0.82 CA1 (0.37) CA1CA2CA9CA5ANR4A2
SCHEMBL9126683 0.75 ABL1 (0.38) CA1CA2CA9NR4A2CA12
SCHEMBL4346537 0.75 NR1H4 (0.41) CA1CA2CA9CA5APDK2
SCHEMBL5405325 0.73 ALDH1A1 (0.33) CA1CA2CA9CA5ACA12
SCHEMBL8324835 0.72 MEN1 (0.33) ALDH1A1
SCHEMBL7801806 0.72 KIF11 (0.39) CA1CA2CA9CA12CA7
SCHEMBL9127773 0.71 GAA (0.38) NR4A2PDK2PDK4KDM4EALDH1A1

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-0666891-B1 CHEMILUMINESCENT ELECTRON-RICH ARYL-SUBSTITUTED 1,2-DIOXETANES ABBOTT LAB (US) 2002-01-16 EP disclosed
US-6139781-A SUBSTITUTED ARYL-CONTAINING 1,2-DIOXETANE COMPOUNDS CAN BE USED AS DIRECT LABELS IN AN IMMUNOASSAY OR WHEN DERIVATIZED WITH AN APPROPRIATE LEAVING GROUP, CAN BE USED AS SUBSTRATE FOR AN ENZYME IMMUNOASSAY ABBOTT LABORATORIES (US) 2000-10-31 US disclosed
US-6001561-A AN ANALYTE-SPECIFIC BINDING MEMBER CONJUGATED TO A CHEMILUMINESCENT COMPOUND; FOR SENSITIVE AND ACCURATE ANALYSIS AND FOR CONTROLLING TIMING OF LUMINESCENT REACTION ABBOTT LABORATORIES (US) 1999-12-14 US disclosed
US-6001659-A DETERMINING PRESENCE OF ANALYTE IN SAMPLE BY CONTACTING WITH INDICATOR OF AN ANALYTE-SPECIFIC BINDING MEMBER CONJUGATED TO A CHEMILUMINESCENT COMPOUND, AND DETECTING SIGNAL GENERATED; TIMING OF LUMINESCENT REACTION CAN BE CONTROLLED ABBOTT LABORATORIES (US) 1999-12-14 US disclosed
EP-0666891-A4 CHEMILUMINESCENT ELECTRON-RICH ARYL-SUBSTITUTED 1,2-DIOXETANES. ABBOTT LAB (US) 1998-09-02 EP disclosed
US-5780249-A SENSITIVE AND ACCURATE RECEPTOR BINDING ASSAY, IMMUNOASSAY ABBOTT LABORATORIES (US) 1998-07-14 US disclosed
US-5607625-A TEST KITS CONTAINING THE DIOXETANES ABBOTT LABORATORIES (US) 1997-03-04 US disclosed
US-5603868-A USEFUL FOR IMMUNOASSAY ABBOTT LABORATORIES (US) 1997-02-18 US disclosed
EP-0666891-A1 CHEMILUMINESCENT ELECTRON-RICH ARYL-SUBSTITUTED 1,2-DIOXETANES ABBOTT LABORATORIES (US) 1995-08-16 EP disclosed
WO-1994010258-A1 CHEMILUMINESCENT ELECTRON-RICH ARYL-SUBSTITUTED 1,2-DIOXETANES ABBOTT LABORATORIES (US) 1994-05-11 WO disclosed