SCHEMBL5159536

SCHEMBL5159536

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
POLB P06746 1/20 0.41
CYP1A2 P05177 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 1/20 0.37
PDK1 Q15118 2/20 0.37
PDK2 Q15119 2/20 0.37
PDK3 Q15120 2/20 0.37
PDK4 Q16654 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL144943 0.76 CYP1A2 (0.58) KMT2APOLBCYP1A2CYP2C9CYP2C19
SCHEMBL5164455 0.75 ELANE (0.38) KMT2APOLBALDH1A1GAASMN1; SMN2
SCHEMBL5162931 0.73 FFAR4 (0.37) KMT2APOLBCYP3A4
SCHEMBL8056115 0.73 CYP19A1 (0.41) ALDH1A1GAAMAPTCYP3A4KDM4E
Phosphonic Acid SCHEMBL5159546 0.71 MAPT (0.42) KMT2APOLBCYP1A2CYP2C9CYP2C19
SCHEMBL5159592 0.70 MAPT (0.39) KMT2APOLBALDH1A1SMN1; SMN2MAPT
SCHEMBL8583458 0.69 IDO1 (0.53)
SCHEMBL24350476 0.68 L3MBTL1 (0.53) CYP1A2CYP2C9CYP2C19GAASMN1; SMN2
SCHEMBL5750540 0.67 CA12 (0.46) KMT2ACYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL5159541 0.66 KMT2A (0.39) KMT2APOLBCYP1A2CYP2C9CYP2C19

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 9 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
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