SCHEMBL16631080

SCHEMBL16631080

CCc1ccc(-c2ccc(OCc3cccc(CBr)c3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.47
FFAR1 O14842 2/20 0.45
F2 P00734 2/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
AKR1B1 P15121 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
GSTP1 P09211 1/20 0.43
PTPRC P08575 1/20 0.43
PTPN1 P18031 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SOD1 P00441 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
SCHEMBL15309991 0.95 MAOB (0.50) MAOBF2RXRARXRBTP53
SCHEMBL12585463 0.86 GSTP1 (0.54) MAOBFFAR1F2AKR1B1FFAR4
SCHEMBL17954211 0.85 FFAR1 (0.48) MAOBFFAR1F2RXRARXRB
SCHEMBL27889682 0.83 MAOB (0.48) MAOBFFAR1F2RXRARXRB
SCHEMBL12806827 0.80 RXRA (0.60) MAOBFFAR1RXRARXRBTP53
SCHEMBL12600515 0.80 NOS1 (0.52) MAOBF2RXRARXRBTP53
SCHEMBL1775149 0.79 MAOB (0.58) MAOBFFAR1F2SMN1; SMN2PTPRC
SCHEMBL8276174 0.78 RXRA (0.53) MAOBF2RXRARXRBTP53
SCHEMBL3920123 0.78 MRGPRX4 (0.59) MAOBFFAR1F2FFAR4TP53
SCHEMBL13258018 0.77 GSTP1 (0.58) MAOBFFAR1FFAR4SMN1; SMN2GSTP1

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