SCHEMBL6803410

SCHEMBL6803410

O=C(O)CCC(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 12/20 0.67
WNT3A P56704 12/20 0.67
GAA P10253 2/20 0.51
LMNA P02545 1/20 0.51
NR4A2 P43354 1/20 0.50
ALDH1A1 P00352 1/20 0.46
CYP2C19 P33261 1/20 0.46
ADAM17 P78536 1/20 0.45
FFAR1 O14842 1/20 0.44

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
SCHEMBL30089582 0.93 CTNNB1 (0.75) CTNNB1WNT3AGAALMNA
SCHEMBL5851305 0.91 CTNNB1 (0.60) CTNNB1WNT3AGAALMNAFFAR1
Succinic Acid SCHEMBL27750746 0.84 LMNA (0.50) CTNNB1WNT3AGAALMNAALDH1A1
SCHEMBL6338224 0.83 CTNNB1 (0.59) CTNNB1WNT3AGAALMNA
SCHEMBL2096286 0.82 CTNNB1 (0.62) CTNNB1WNT3AGAALMNA
SCHEMBL18662346 0.82 CTNNB1 (0.62) CTNNB1WNT3AGAALMNAALDH1A1
SCHEMBL15988770 0.81 CTNNB1 (0.61) CTNNB1WNT3AGAALMNA
SCHEMBL15969856 0.80 CTNNB1 (1.00) CTNNB1WNT3ALMNAALDH1A1
SCHEMBL15968778 0.80 CTNNB1 (0.74) CTNNB1WNT3AGAALMNA
SCHEMBL6338227 0.80 CTNNB1 (0.56) CTNNB1WNT3AGAALMNA

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
CN-1616432-A Compound,its use and pharmaceutical compositions comprising same ELAN PHARM INC (US) 2005-05-18 CN disclosed
US-6828427-B1 Oligomeric aminodiol-containing compounds, libraries thereof, and process of preparing the same ISIS PHARMACEUTICALS, INC. 2004-12-07 US disclosed
CN-1171878-C Compounds, their use and pharmaceutical compositions containing them ������˹ҩƷ��˾ 2004-10-20 CN disclosed
US-6750344-B1 MONOCYCLIC AMINE SCAFFOLD BEARING AT LEAST TWO SITES OF DIVERSITY, CYCLIZED TO FORM BICYCLIC AMINE SCAFFOLDS; 7-AMINO-PYRROLO(1,2-A)PYRAZIN-4-ONE COMPOUNDS ISIS PHARMACEUTICALS, INC. 2004-06-15 US disclosed
US-6316626-B1 Amine compounds and combinatorial libraries comprising same ISIS PHARMACEUTICALS, INC. 2001-11-13 US disclosed
CN-1242007-A Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising such compounds, and methods of inhibiting beta amyloid peptide release and/or its synthesis using such compounds ELAND PHARMACEUTICAL CORP (US) 2000-01-19 CN disclosed
WO-1999012034-A1 AMINE COMPOUNDS AND COMBINATORIAL LIBRARIES COMPRISING SAME ISIS PHARMACEUTICALS, INC. (US) 1999-03-11 WO disclosed
EP-0865439-A4 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS INC (US) 1998-11-11 EP disclosed
EP-0865439-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1998-09-23 EP disclosed
WO-1996040672-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed