SCHEMBL5159822

SCHEMBL5159822

CCO[PH](=O)OCC.COCc1cc(Cl)cc(OC(=O)C(C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 11/20 0.37
POLB P06746 1/20 0.33
CNR2 P34972 2/20 0.32
ABCB11 O95342 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
HTR2A P28223 1/20 0.31
PMP22 Q01453 1/20 0.31
PPARA Q07869 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
PRTN3 P24158 1/20 0.31
ACLY P53396 1/20 0.30

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
SCHEMBL5164455 0.88 ELANE (0.38) ELANEPOLB
SCHEMBL5162931 0.82 FFAR4 (0.37) POLBCYP3A4FFAR4
SCHEMBL8581997 0.82 ELANE (0.40) ELANECYP3A4PPARAPRTN3
Butane SCHEMBL9288385 0.70 ELANE (0.40) ELANEPOLBPRTN3
Phosphonic Acid SCHEMBL9638832 0.69 ELANE (0.45) ELANECYP3A4
SCHEMBL13446246 0.69 ELANE (0.39) ELANEPOLB
Phosphonic Acid SCHEMBL5159833 0.68 ELANE (0.38) ELANEPOLBCNR2
SCHEMBL9430891 0.68 CYP3A4 (0.48) CNR2CYP3A4
SCHEMBL18556937 0.67 ELANE (0.71) ELANEPRTN3
SCHEMBL8056115 0.66 CYP19A1 (0.41) CYP3A4

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 6 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-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