SCHEMBL11648484

SCHEMBL11648484

O=C1OCCOC(=O)c2cc(Br)c1cc2Br

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
CYP3A4 P08684 1/20 0.31
ABCC9 O60706 1/20 0.31
ABCC8 Q09428 1/20 0.31
KCNJ11 Q14654 1/20 0.31
KCNJ8 Q15842 1/20 0.31
ITGB2 P05107 1/20 0.31
ICAM1 P05362 1/20 0.31
ITGAL P20701 1/20 0.31
DYRK1A Q13627 1/20 0.31
DYRK2 Q92630 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTT P42858 1/20 0.30
BLM P54132 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
SCHEMBL10898100 0.91 SMN1; SMN2 (0.36) MAOAMAOBLMNAMAPTGAA
SCHEMBL11682829 0.91 SMN1; SMN2 (0.40) MAOAMAOBLMNAMAPTGAA
Terephthalic Acid SCHEMBL11776560 0.83 CYP2C8 (0.42)
SCHEMBL11786716 0.72 MAOA (0.38) MAOAMAPTSMN1; SMN2
SCHEMBL3733365 0.70 ALOX15 (0.55) MAOAMAOBLMNAMAPTITGB2
SCHEMBL6034665 0.70 ALDH1A1 (0.37) MAOAMAOBLMNAMAPTGAA
SCHEMBL855514 0.70 CYP3A4 (0.53) MAOAMAOBLMNAMAPTGAA
Hydrochloric Acid SCHEMBL23174308 0.69 ALOX15 (0.52) MAOAMAOBLMNAMAPTITGB2
SCHEMBL1434255 0.69 ALOX15 (0.52) MAOAMAOBLMNAMAPTITGB2
SCHEMBL15069658 0.69 MAOA (0.36) MAOAMAOBLMNAMAPTGAA

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
US-4064101-A GROUP IA OR IIA METAL SALTS OF SULFONIC ACIDS OF MONOMERIC OR POLYMERIC AROMATIC CARBOXYLIC ACIDS OR ESTERS GENERAL ELECTRIC COMPANY (US) 1977-12-20 US claimed
US-4101528-A FLAME RETARDANT AVTEX FIBERS INC. (US) 1978-07-18 US disclosed
US-4064101-A GROUP IA OR IIA METAL SALTS OF SULFONIC ACIDS OF MONOMERIC OR POLYMERIC AROMATIC CARBOXYLIC ACIDS OR ESTERS GENERAL ELECTRIC COMPANY (US) 1977-12-20 US disclosed
US-4059546-A Textile fiber blend comprising cellulosic fibers and ethylene 2,6-naphthalene dicarboxylate-halogenated comonomers copolyester fibers AVTEX FIBERS INC. (US) 1977-11-22 US disclosed
US-4045513-A Ethylene 2,6-naphthalene dicarboxylated-alkylene-2,5 dibromoterephthalate flame-retardant copolyesters AVTEX FIBERS INC. (US) 1977-08-30 US disclosed
US-4028308-A Poly(cyclohexanedimethylene dibromoterephthalate) STANDARD OIL COMPANY (INDIANA) (US) 1977-06-07 US disclosed
US-4025491-A SELF-EXTINGUISHING STANDARD OIL COMPANY (INDIANA) (US) 1977-05-24 US disclosed
US-4024102-A Molding composition suitable for forming improved flame retardant three-dimensional shaped articles CELANESE CORPORATION (US) 1977-05-17 US disclosed
US-3966682-A SELF-EXTINGUISHIMG STANDARD OIL COMPANY (US) 1976-06-29 US disclosed