SCHEMBL16624622

SCHEMBL16624622

CCc1ccccc1COc1ccc(-c2cccc(COC(c3ccccc3)(c3ccc(OC)cc3)c3ccc(OC)cc3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.45
PPARD Q03181 1/20 0.45
BCL2 P10415 1/20 0.44
ANO1 Q5XXA6 1/20 0.44
PTGER4 P35408 3/20 0.44
FFAR4 Q5NUL3 2/20 0.42
AKR1B1 P15121 1/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 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
RXFP1 Q9HBX9 1/20 0.42
RXRA P19793 1/20 0.42
NR1H2 P55055 1/20 0.42
NR1H3 Q13133 1/20 0.42
PTGER3 P43115 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
SCHEMBL16627143 0.92 FFAR1 (0.41) FFAR1PPARDBCL2ANO1PTGER4
SCHEMBL17954313 0.91 FFAR1 (0.44) FFAR1PPARDBCL2ANO1PTGER4
SCHEMBL16624620 0.86 FFAR1 (0.48) FFAR1PPARDBCL2ANO1PTGER4
SCHEMBL16624618 0.84 FFAR1 (0.48) FFAR1PPARDBCL2ANO1FFAR4
SCHEMBL16631068 0.83 MAOB (0.47) FFAR1PPARDANO1TP53PKM
SCHEMBL16624623 0.80 FFAR1 (0.52) FFAR1PPARDBCL2ANO1PTGER4
SCHEMBL16627142 0.80 FFAR1 (0.47) FFAR1PPARDBCL2ANO1FFAR4
SCHEMBL16624846 0.79 BACE1 (0.42) FFAR1PPARDBCL2ANO1RAB9A
SCHEMBL16624842 0.79 RAB9A (0.46) FFAR1PPARDBCL2FFAR4AKR1B1
SCHEMBL17954312 0.78 FFAR1 (0.48) FFAR1PPARDBCL2ANO1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015050871-A2 ORGANIC COMPOUNDS TO TREAT HEPATITIS B VIRUS NOVARTIS AG (CH) 2015-04-09 WO disclosed
WO-2015051366-A2 NOVEL FORMATS FOR ORGANIC COMPOUNDS FOR USE IN RNA INTERFERENCE NOVARTIS AG (CH) 2015-04-09 WO disclosed