SCHEMBL9350445

SCHEMBL9350445

CCOP(=O)(CC)OC(OC)c1cccc(OC(=O)C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
ACHE P22303 2/20 0.35
FAAH O00519 1/20 0.35
BCHE P06276 1/20 0.35
PRTN3 P24158 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL8581995 0.82 ELANE (0.49) ELANEACHEBCHEL3MBTL1
SCHEMBL8582000 0.81 POLB (0.41) ELANEMAPTACHEFAAHBCHE
SCHEMBL9838475 0.75 ELANE (0.42) ELANEACHEBCHEL3MBTL1
SCHEMBL1037218 0.75 ELANE (0.43) ELANEACHEPRTN3
SCHEMBL9638837 0.73 ELANE (0.43) ELANEACHEBCHEPRTN3
SCHEMBL8718625 0.72 L3MBTL1 (0.42) L3MBTL1
SCHEMBL9616874 0.70 AKR1C3 (0.46) MAPTL3MBTL1
SCHEMBL17181661 0.69 NPC1 (0.43) MAPTMAPK1POLBL3MBTL1
Phosphonic Acid SCHEMBL9616586 0.69 ACHE (0.44) ELANEACHEFAAHBCHE
SCHEMBL1696491 0.68 L3MBTL1 (0.39) MAPTPOLBL3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0441948-A4 SYNTHESIS OF STABLE, WATER-SOLUBLE CHEMILUMINESCENT 1,2-DIOXETANES AND INTERMEDIATES THEREFOR 1992-06-03 EP claimed
EP-0441948-A1 SYNTHESIS OF STABLE, WATER-SOLUBLE CHEMILUMINESCENT 1,2-DIOXETANES AND INTERMEDIATES THEREFOR TROPIX, INC. (US) 1991-08-21 EP claimed
US-5330900-A Chemiluminescent 3-(substituted adamant-2'-ylidene) 1,2-dioxetanes TROPIX, INC. (US) 1994-07-19 US disclosed
EP-0441948-A4 SYNTHESIS OF STABLE, WATER-SOLUBLE CHEMILUMINESCENT 1,2-DIOXETANES AND INTERMEDIATES THEREFOR 1992-06-03 EP disclosed
EP-0441948-A1 SYNTHESIS OF STABLE, WATER-SOLUBLE CHEMILUMINESCENT 1,2-DIOXETANES AND INTERMEDIATES THEREFOR TROPIX, INC. (US) 1991-08-21 EP disclosed