SCHEMBL4382949

SCHEMBL4382949

FC(F)(F)c1ccc(Br)cc1.O=C(O)CCc1ccc(B(O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.54
MGLL Q99685 1/20 0.51
FFAR4 Q5NUL3 4/20 0.48
PDPK1 O15530 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
TSHR P16473 1/20 0.43
PLAAT3 P53816 1/20 0.43
PLAAT5 Q96KN8 1/20 0.43
PLAAT2 Q9NWW9 1/20 0.43
PLAAT4 Q9UL19 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
IDO1 P14902 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
PPARD Q03181 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
SCHEMBL117230 0.82 FFAR1 (0.73) FFAR1FFAR4PDPK1PLAAT3PLAAT5
SCHEMBL363489 0.81 FFAR1 (0.61) FFAR1FFAR4CA1CA2TRPV1
Trifluoroacetic Acid SCHEMBL27529274 0.79 FFAR1 (0.61) FFAR1FFAR4PDPK1CA1CA2
SCHEMBL5455 0.77 FFAR1 (0.71) FFAR1FFAR4PDPK1CA1CA2
Hydrochloric Acid SCHEMBL6440989 0.75 FFAR1 (0.69) FFAR1FFAR4PDPK1CA1CA2
SCHEMBL1454387 0.73 FFAR1 (0.60) FFAR1PDPK1PLAAT3PLAAT5PLAAT2
SCHEMBL5867429 0.73 MGLL (0.59) MGLLCA1CA2TSHRHDAC1
SCHEMBL30357702 0.72 FFAR1 (0.60) FFAR1FFAR4PDPK1PLAAT3PLAAT5
SCHEMBL4179 0.72 MGLL (1.00) MGLLCA1CA2TSHR
SCHEMBL30990549 0.71 FFAR1 (0.59) FFAR1FFAR4PDPK1CA1CA2

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
EP-1686119-B1 Pyrimidine-5-one derivatives as LDL-PLA2 inhibitors SMITHKLINE BEECHAM PLC (GB) 2009-07-29 EP disclosed
EP-1686119-A1 PYRIMIDINE-4-ONE DERIVATIVES AS LDL-PLA2 INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2006-08-02 EP disclosed
EP-1263740-B1 PYRIMIDINE-4-ONE DERIVATIVE AS LDL-PLA2 INHIBITOR SMITHKLINE BEECHAM PLC (GB) 2006-07-19 EP disclosed