SCHEMBL3466547

SCHEMBL3466547

O=C(O)C(C/C=C/c1ccccc1)CCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.51
FFAR4 Q5NUL3 1/20 0.51
GSK3B P49841 3/20 0.51
BACE1 P56817 3/20 0.51
MMP12 P39900 1/20 0.51
PPARG P37231 3/20 0.49
PPARA Q07869 2/20 0.48
GRIK1 P39086 2/20 0.48
GRIK2 Q13002 2/20 0.48
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.46
LCK P06239 1/20 0.46
LTA4H P09960 1/20 0.46
EPHX2 P34913 1/20 0.46
BCHE P06276 1/20 0.45

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
SCHEMBL3466551 1.00 FFAR1 (0.51) FFAR1FFAR4GSK3BBACE1MMP12
SCHEMBL1857515 0.89 GSK3B (0.50) FFAR1FFAR4GSK3BBACE1MMP12
SCHEMBL1857512 0.89 GSK3B (0.50) FFAR1FFAR4GSK3BBACE1MMP12
SCHEMBL1857645 0.87 GRIK1 (0.60) GRIK1GRIK2
SCHEMBL1857647 0.87 GRIK1 (0.60) GRIK1GRIK2
SCHEMBL28224291 0.81 FFAR1 (0.64) FFAR1FFAR4MMP12PPARGPPARA
SCHEMBL28860722 0.81 FFAR1 (0.64) FFAR1FFAR4MMP12PPARGPPARA
SCHEMBL1856449 0.80 LTA4H (0.60) FFAR1FFAR4MMP12PPARGPPARA
SCHEMBL1857513 0.79 MAOB (0.50) FFAR1FFAR4MMP12PPARGPPARA
SCHEMBL27439147 0.79 LTA4H (0.58) FFAR1FFAR4MMP12PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010070076-A1 ALKANOIC ACID DERIVATIVES AND THEIR THERAPEUTIC USE AS HDAC INHIBITORS CRYSTAX PHARMACEUTICALS, S.L. (ES) 2010-06-24 WO disclosed
WO-2009080722-A2 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2009-07-02 WO disclosed