SCHEMBL7517428

SCHEMBL7517428

COC(=O)c1ccc(C)c(O[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.55
MAPT P10636 3/20 0.44
ALDH1A1 P00352 5/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
XDH P47989 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 2/20 0.40
KMT2A Q03164 1/20 0.40
CYP2C9 P11712 2/20 0.40
ALPL P05186 1/20 0.40
GAA P10253 2/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL6804381 0.88 MAPT (0.50) NOTUMMAPTALDH1A1CA12CA1
SCHEMBL1525956 0.85 MAPT (0.59) MAPTALDH1A1CA12CA1CA2
SCHEMBL6808810 0.85 MAPT (0.59) MAPTALDH1A1CA12CA1CA2
SCHEMBL8696286 0.85 CA12 (0.45) NOTUMALDH1A1CA12CA1CA2
SCHEMBL23628916 0.84 KDM4E (0.49) NOTUMMAPTALDH1A1CA12CA1
SCHEMBL4330970 0.84 ALDH1A1 (0.48) NOTUMMAPTALDH1A1CA12CA1
SCHEMBL8693327 0.84 MAPK1 (0.40) NOTUMALDH1A1CA1CA2ALPL
SCHEMBL24196337 0.82 XDH (0.54) NOTUMMAPTALDH1A1CA12CA1
SCHEMBL9452808 0.82 MAPT (0.41) NOTUMMAPTALDH1A1CA12CA1
SCHEMBL12296673 0.81 NOTUM (0.39) NOTUMMAPTALDH1A1CA12CA1

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 11 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
US-5238958-A Treating strokes WARNER-LAMBERT COMPANY (US) 1993-08-24 US disclosed