SCHEMBL13620564

SCHEMBL13620564

CCOc1ccc(C(C)COCc2cccc(Oc3ccccc3)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.54
LTA4H P09960 1/20 0.51
FFAR4 Q5NUL3 1/20 0.44
ACACB O00763 1/20 0.43
ACACA Q13085 1/20 0.43
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
CETP P11597 1/20 0.42
BCHE P06276 1/20 0.42
CNR2 P34972 1/20 0.41

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
SCHEMBL9558968 0.88 FFAR1 (0.52) FFAR1LTA4HFFAR4ACACBACACA
SCHEMBL409247 0.85 FFAR1 (0.51) FFAR1LTA4HFFAR4ACACBACACA
SCHEMBL9561406 0.85 FFAR1 (0.51) FFAR1LTA4HFFAR4ACACBACACA
SCHEMBL10712547 0.84 LTA4H (0.50) FFAR1LTA4HFFAR4TP53PKM
SCHEMBL10712541 0.81 FFAR1 (0.56) FFAR1LTA4HFFAR4ACACBACACA
SCHEMBL10544962 0.81 LTA4H (0.51) FFAR1LTA4HFFAR4ACACBACACA
SCHEMBL20357561 0.79 FFAR1 (0.57) FFAR1LTA4HFFAR4ACACBACACA
SCHEMBL9558340 0.79 PTGES (0.47) FFAR1FFAR4SMN1; SMN2CETP
SCHEMBL9570819 0.78 FFAR1 (0.44) FFAR1LTA4HACACBACACATP53
SCHEMBL9570818 0.78 FFAR1 (0.44) FFAR1LTA4HFFAR4ACACBACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009133181-A1 ETHER-AMIDE TYPE COMPOUNDS, PREPARATION METHOD AND USES RHODIA OPERATIONS (FR) 2009-11-05 WO disclosed
WO-2009092795-A1 USE OF ESTER AMIDES AS SOLVENTS, ESTER AMIDES AS SUCH, AND METHOD FOR PREPARING ESTER AMIDES RHODIA OPERATIONS (FR) 2009-07-30 WO disclosed
WO-2008043807-A1 SOLVENT COMPOSITION CONTAINING AT LEAST TWO SOLVENTS, AND PHYTOSANITARY FORMULATION CONTAINING SAID COMPOSITION AND AN ACTIVE INGREDIENT RHODIA OPERATIONS (FR) 2008-04-17 WO disclosed