SCHEMBL5159541

SCHEMBL5159541

CCOP(=O)(OCC)C(OC)c1cc(NC(=O)C(F)(F)F)cc(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
POLB P06746 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.37
GAA P10253 2/20 0.37
LMNA P02545 1/20 0.37
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL2070455 0.79 L3MBTL1 (0.44) KMT2APOLBSMN1; SMN2MAPTMEN1
SCHEMBL144943 0.75 CYP1A2 (0.58) KMT2APOLBCYP1A2CYP2C9CYP2C19
SCHEMBL5164458 0.74 L3MBTL1 (0.38) POLBSMN1; SMN2GAATDP1L3MBTL1
SCHEMBL5162933 0.73 L3MBTL1 (0.40) POLBMAPTGAALMNATDP1
SCHEMBL7599298 0.73 L3MBTL1 (0.43) KMT2APOLBMAPTGAALMNA
SCHEMBL14010366 0.69 MAPT (0.43) KMT2APOLBCYP1A2CYP2C9CYP2C19
SCHEMBL5159594 0.69 TDP1 (0.51) KMT2APOLBRAB9ASMN1; SMN2MAPT
SCHEMBL4801866 0.69 POLB (0.45) POLBMAPTGAALMNATDP1
SCHEMBL7027649 0.68 CA12 (0.49) POLBGAATDP1L3MBTL1
SCHEMBL5159827 0.66 ELANE (0.36) POLBSMN1; SMN2MAPTGAALMNA

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