SCHEMBL16631068

SCHEMBL16631068

CCc1cccc(COc2cccc(-c3cccc(COC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)c3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.47
FFAR1 O14842 4/20 0.46
PPARD Q03181 3/20 0.46
ANO1 Q5XXA6 1/20 0.43
MRGPRX4 Q96LA9 3/20 0.43
NR4A2 P43354 1/20 0.43
BCHE P06276 1/20 0.42
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ERN1 O75460 1/20 0.41
ACSS2 Q9NR19 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
SCHEMBL17954312 0.90 FFAR1 (0.48) MAOBFFAR1PPARDANO1MRGPRX4
SCHEMBL16624805 0.88 ACSS2 (0.42) MAOBFFAR1PPARDBCHETP53
SCHEMBL16618237 0.86 MAOB (0.47) MAOBFFAR1PPARDANO1MRGPRX4
SCHEMBL16624618 0.84 FFAR1 (0.48) FFAR1PPARDANO1MRGPRX4NR4A2
SCHEMBL16624844 0.83 FFAR1 (0.48) FFAR1PPARDANO1MRGPRX4NR4A2
SCHEMBL16624622 0.83 FFAR1 (0.45) FFAR1PPARDANO1MRGPRX4TP53
SCHEMBL16627141 0.81 FFAR1 (0.45) MAOBFFAR1PPARDANO1MRGPRX4
SCHEMBL20101406 0.81 FFAR1 (0.41) MAOBFFAR1PPARDBCHESMN1; SMN2
SCHEMBL17954297 0.80 FYN (0.43) MAOBFFAR1PPARDMRGPRX4BCHE
SCHEMBL18102828 0.79 MRGPRX4 (0.62) MAOBFFAR1PPARDMRGPRX4NR4A2

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-2015051045-A2 3'END CAPS FOR RNAi AGENTS FOR USE IN RNA INTERFERENCE NOVARTIS AG (CH) 2015-04-09 WO disclosed