SCHEMBL18503391

SCHEMBL18503391

C=C(C)C(=O)OCOc1ccc(-c2ccc(OCOC(=O)C(=C)C)c(F)c2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 4/20 0.38
CYP3A4 P08684 2/20 0.38
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
FFAR1 O14842 4/20 0.36
THRB P10828 1/20 0.36
ERN1 O75460 2/20 0.36
PPARD Q03181 2/20 0.36
MAPT P10636 1/20 0.35
DGAT1 O75907 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
PRKCZ Q05513 1/20 0.34
FFAR4 Q5NUL3 2/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL18503392 0.93 FFAR1 (0.41) AAK1CYP3A4POLBAPEX1HTT
SCHEMBL14984604 0.87 POLB (0.40) AAK1CYP3A4POLBAPEX1HTT
SCHEMBL16140698 0.86 THRB (0.44) AAK1CYP3A4POLBAPEX1HTT
SCHEMBL16559817 0.85 THRB (0.37) AAK1CYP3A4POLBAPEX1HTT
SCHEMBL16436346 0.83 ELANE (0.36) CYP3A4POLBAPEX1HTTTDP1
SCHEMBL13289588 0.82 MAOB (0.43) POLBAPEX1HTTTDP1FFAR1
SCHEMBL16982209 0.81 POLB (0.48) AAK1CYP3A4POLBAPEX1HTT
SCHEMBL21417794 0.81 POLB (0.42) AAK1CYP3A4POLBAPEX1HTT
SCHEMBL9607788 0.81 CFD (0.42) AAK1CYP3A4HTTFFAR1ERN1
SCHEMBL16559842 0.80 THRB (0.39) AAK1CYP3A4POLBAPEX1HTT

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