SCHEMBL16627142

SCHEMBL16627142

COC(=O)CCC(=O)OCc1cccc(COc2ccc(-c3cccc(COC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)c3)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 15/20 0.47
AKR1B1 P15121 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
PPARD Q03181 1/20 0.46
BCL2 P10415 1/20 0.46
ANO1 Q5XXA6 1/20 0.46
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
NR1H4 Q96RI1 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL16624623 0.94 FFAR1 (0.52) FFAR1AKR1B1FFAR4PPARDBCL2
SCHEMBL16624843 0.90 FFAR1 (0.47) FFAR1AKR1B1FFAR4PPARDRAB9A
SCHEMBL16624844 0.89 FFAR1 (0.48) FFAR1AKR1B1FFAR4PPARDANO1
SCHEMBL17954319 0.88 FFAR1 (0.47) FFAR1AKR1B1FFAR4PPARDANO1
SCHEMBL16624620 0.88 FFAR1 (0.48) FFAR1AKR1B1FFAR4PPARDBCL2
SCHEMBL18027825 0.86 FFAR1 (0.48) FFAR1AKR1B1FFAR4PPARDANO1
SCHEMBL16624618 0.85 FFAR1 (0.48) FFAR1AKR1B1FFAR4PPARDBCL2
SCHEMBL16624616 0.83 FFAR1 (0.49) FFAR1AKR1B1FFAR4PPARDANO1
SCHEMBL16624625 0.83 FFAR1 (0.47) FFAR1AKR1B1FFAR4PPARDRAB9A
SCHEMBL16624801 0.80 FFAR1 (0.47) FFAR1AKR1B1FFAR4PPARDSMN1; SMN2

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
WO-2015051044-A2 NOVEL FORMATS FOR ORGANIC COMPOUNDS FOR USE IN RNA INTERFERENCE NOVARTIS AG (CH) 2015-04-09 WO disclosed