SCHEMBL5159592

SCHEMBL5159592

CCO[PH](=O)OCC.COCc1cc(OC)cc([N+](=O)[O-])c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
MAPK1 P28482 4/20 0.39
HTT P42858 3/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
ALOX5 P09917 1/20 0.36
ALDH1A1 P00352 4/20 0.34
CRHBP P24387 2/20 0.34
CRHR2 Q13324 2/20 0.34
POLB P06746 2/20 0.34
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KCNJ1 P48048 1/20 0.33
KCNH2 Q12809 1/20 0.33
TP53 P04637 1/20 0.33
CYP19A1 P11511 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
SCHEMBL4975093 0.87 MAPT (0.47) MAPTMEN1KMT2AMAPK1HTT
SCHEMBL5318702 0.79 MAPT (0.47) MAPTMEN1KMT2AMAPK1HTT
SCHEMBL5162931 0.79 FFAR4 (0.37) KMT2APTGS2POLBCYP19A1
SCHEMBL8056115 0.79 CYP19A1 (0.41) MAPTMAPK1PTGS2ALDH1A1TDP1
SCHEMBL11273785 0.75 CYP19A1 (0.50) MEN1KMT2AHTTLMNASMN1; SMN2
SCHEMBL8583458 0.74 IDO1 (0.53)
SCHEMBL5164455 0.73 ELANE (0.38) KMT2ASMN1; SMN2PTGS2ALDH1A1POLB
SCHEMBL18538952 0.73 HTT (0.47) MAPTMEN1KMT2AHTTLMNA
SCHEMBL30386000 0.72 TAAR1 (0.49) MAPTMEN1KMT2AMAPK1HTT
SCHEMBL29008515 0.72 TAAR1 (0.49) MAPTMEN1KMT2AMAPK1HTT

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-1120423-B1 Improved chemiluminescent 1,2-dioxetanes APPLERA CORP (US) 2007-03-14 EP disclosed
US-6346615-B1 SPIROADAMANTYL DIOXETANES BEARING AN ALKOXY SUBSTITUENT, AND AN AROMATIC SUBSTITUENT ON THE DIOXETANE RING CAN BE ACTIVATED TO CHEMILUMINESCE IF THE AROMATIC SUBSTITUENT BEARS A MOIETY THAT IS CLEAVED BY AN ENZYME TROPIX, INC. 2002-02-12 US disclosed
US-6140495-A SPIROADAMANTYL DIOXETANES BEARING AN ALKOXY SUBSTITUENT AND AN AROMATIC SUBSTITUENT OF PHENYL OR NAPHTHYL ON THE DIOXETANE RING; REPORTER MOLECULES FOR MEASUREMENT OF ENZYMATIC ACTIVITY TROPIX, INC. (US) 2000-10-31 US disclosed
US-6022964-A SPIROADAMANTYL DIOXETANES WITH AN ALKOXY SUBSTITUENT AND A NAPHTHYL SUBSTITUENT ON THE DIOXETANE RING WHICH CAN BE ACTIVATED BY ENZYMATIC CLEAVAGE OF LABILE GROUP; KINETICS AND SIGNAL INTENSITY DEPENDS ON ELECTRON-ACTIVATING GROUP TROPIX, INC. (US) 2000-02-08 US disclosed
US-5851771-A Chemiluminescent 1,2-dioxetanes TROPIX, INC. (US) 1998-12-22 US disclosed
US-5840919-A SPIROADAMANTYL 1,2-DIOXETANES CHARACTERIZED BY SUBSTITUENT ON AROMATIC RING IN ADDITION TO META-SUBSTITUTED ENZYME-LABILE GROUP TROPIX, INC. (US) 1998-11-24 US disclosed
US-5538847-A Chemiluminescent 1,2-dioxetanes TROPIX, INC. (US) 1996-07-23 US disclosed
EP-0649417-A1 IMPROVED CHEMILUMINESCENT 1,2-DIOXETANES TROPIX, INC. (US) 1995-04-26 EP disclosed
EP-0649417-A4 IMPROVED CHEMILUMINESCENT 1,2-DIOXETANES. TROPIX INC (US) 1995-02-27 EP disclosed
WO-1994026726-A1 IMPROVED CHEMILUMINESCENT 1,2-DIOXETANES TROPIX, INC. (US) 1994-11-24 WO disclosed