SCHEMBL5162931

SCHEMBL5162931

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.37
MARS1 P56192 2/20 0.36
CNR1 P21554 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
IDO1 P14902 2/20 0.33
ENPP2 Q13822 1/20 0.32
KLKB1 P03952 1/20 0.32
PTGS2 P35354 1/20 0.32
CYP19A1 P11511 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
NAMPT P43490 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
SCHEMBL8056115 0.82 CYP19A1 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5159822 0.82 ELANE (0.37) FFAR4CYP3A4POLB
SCHEMBL5159592 0.79 MAPT (0.39) PTGS2CYP19A1POLBKMT2A
SCHEMBL8583458 0.78 IDO1 (0.53) IDO1
SCHEMBL9017643 0.77 FFAR4 (0.42) FFAR4MARS1CNR1GRIN2DGRIN3B
SCHEMBL5164455 0.76 ELANE (0.38) PTGS2CYP19A1POLBKMT2ACALM1
SCHEMBL12178225 0.76 FFAR4 (0.40) FFAR4MARS1CNR1GRIN2DGRIN3B
SCHEMBL1977481 0.73 ALDH1A1 (0.46) PTGS2CYP19A1POLBKMT2ACALM1
SCHEMBL5159536 0.73 KMT2A (0.41) CYP3A4POLBKMT2A
SCHEMBL5159677 0.72 ALDH1A1 (0.40) 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 7 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-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
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