SCHEMBL18503392

SCHEMBL18503392

C=C(C)C(=O)OCOc1ccc(-c2ccc(OCOC(=O)C(=C)C)c(F)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.41
PPARD Q03181 8/20 0.41
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RARA P10276 1/20 0.39
RARB P10826 1/20 0.39
FFAR4 Q5NUL3 3/20 0.35
AAK1 Q2M2I8 2/20 0.35
CYP3A4 P08684 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL14984604 0.94 POLB (0.40) FFAR1PPARDPOLBAPEX1HTT
SCHEMBL18503391 0.93 AAK1 (0.38) FFAR1PPARDPOLBAPEX1HTT
SCHEMBL13289588 0.90 MAOB (0.43) FFAR1PPARDPOLBAPEX1HTT
SCHEMBL20390058 0.87 POLB (0.40) FFAR1POLBAPEX1HTTTDP1
SCHEMBL16982209 0.86 POLB (0.48) FFAR1PPARDPOLBAPEX1HTT
SCHEMBL13312839 0.85 MAPT (0.44) POLBAPEX1HTTTDP1
SCHEMBL16541362 0.85 POLB (0.51) POLBAPEX1HTTTDP1RARB
SCHEMBL12172629 0.85 POLB (0.51) POLBAPEX1HTTTDP1RARB
SCHEMBL20286028 0.84 POLB (0.42) PPARDPOLBAPEX1HTTTDP1
SCHEMBL12242658 0.84 MAOB (0.38) FFAR1PPARDPOLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170045765-A1 LCD DEVICE DIC CORPORATION (JP) 2017-02-16 US disclosed