SCHEMBL4619437

SCHEMBL4619437

O=C(O)CCc1cccc(OBOc2cccc(CCC(=O)O)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 16/20 0.55
KEAP1 Q14145 1/20 0.53
FFAR4 Q5NUL3 7/20 0.52
PTPRB P23467 1/20 0.51
CDC25A P30304 1/20 0.51
CDC25B P30305 1/20 0.51
PTEN P60484 1/20 0.51
PTPMT1 Q8WUK0 1/20 0.51
PPARD Q03181 1/20 0.50
GNA15 P30679 1/20 0.50
PTGER3 P43115 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
AKR1B1 P15121 1/20 0.47

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
SCHEMBL3977902 0.83 AKR1B1 (0.50) FFAR1PPARDTDP1AKR1B1
SCHEMBL4644508 0.83 SIRT2 (0.48)
SCHEMBL7620631 0.81 FFAR1 (0.56) FFAR1KEAP1FFAR4PTPRBCDC25A
SCHEMBL29085766 0.81 FFAR1 (0.56) FFAR1KEAP1FFAR4PTPRBCDC25A
SCHEMBL346302 0.81 FFAR1 (0.65) FFAR1
SCHEMBL1205673 0.81 FFAR1 (0.74) FFAR1KEAP1FFAR4GNA15PTGER3
SCHEMBL1852100 0.80 CYP4F2 (0.61) TDP1
SCHEMBL70271 0.80 KEAP1 (0.74) FFAR1KEAP1FFAR4PTPRBCDC25A
SCHEMBL5798172 0.79 FFAR1 (0.62) FFAR1KEAP1FFAR4
SCHEMBL1205628 0.79 FFAR4 (0.71) FFAR1KEAP1FFAR4PTPRBCDC25A

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-2008039882-A1 A COMBINATION OF NIACIN AND A PROSTAGLANDIN D2 RECEPTOR ANTAGONIST SANOFI-AVENTIS U.S. LLC (US) 2008-04-03 WO disclosed
EP-1891019-A2 2,6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Aventis Pharmaceuticals Inc. (US) 2008-02-27 EP disclosed
WO-2006044732-A2 2, 6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 2006-04-27 WO disclosed