SCHEMBL16627141

SCHEMBL16627141

CCCc1cccc(COc2cccc(-c3ccc(CCOC(c4ccccc4)(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.45
BCHE P06276 3/20 0.44
PPARD Q03181 3/20 0.41
AKR1B1 P15121 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
MAOB P27338 4/20 0.41
ANO1 Q5XXA6 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
SLC13A5 Q86YT5 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL17954325 0.91 FFAR1 (0.47) FFAR1BCHEPPARDAKR1B1FFAR4
SCHEMBL16624616 0.84 FFAR1 (0.49) FFAR1PPARDAKR1B1FFAR4ANO1
SCHEMBL20101406 0.83 FFAR1 (0.41) FFAR1BCHEPPARDMAOB
SCHEMBL16631068 0.81 MAOB (0.47) FFAR1BCHEPPARDMAOBANO1
SCHEMBL17954312 0.78 FFAR1 (0.48) FFAR1BCHEPPARDMAOBANO1
SCHEMBL16627143 0.78 FFAR1 (0.41) FFAR1PPARDAKR1B1FFAR4ANO1
SCHEMBL12847632 0.77 LTA4H (0.49)
SCHEMBL12847916 0.77 LTA4H (0.49)
SCHEMBL16624618 0.76 FFAR1 (0.48) FFAR1PPARDAKR1B1FFAR4ANO1
SCHEMBL9405631 0.75 MAOB (0.71) FFAR1BCHEPPARDMAOBANO1

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