SCHEMBL16627150

SCHEMBL16627150

COc1ccc(C(OCc2ccc(-c3cccc(CCCc4cccc(COC(=O)CCC(=O)O)c4)c3)nc2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.47
CYP4F2 P78329 5/20 0.40
CYP4A11 Q02928 5/20 0.40
FFAR4 Q5NUL3 2/20 0.39
AKR1B1 P15121 1/20 0.39
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
FAAH O00519 1/20 0.36

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
SCHEMBL16624801 0.91 FFAR1 (0.47) FFAR1CYP4F2CYP4A11FFAR4AKR1B1
SCHEMBL16624625 0.90 FFAR1 (0.47) FFAR1CYP4F2CYP4A11FFAR4AKR1B1
SCHEMBL16624848 0.87 DGAT1 (0.41) FFAR1FFAR4CASP3SENP8SENP7
SCHEMBL18027825 0.85 FFAR1 (0.48) FFAR1FFAR4AKR1B1
SCHEMBL16631081 0.84 FFAR1 (0.43) FFAR1CYP4F2CYP4A11CASP3SENP8
SCHEMBL17954319 0.83 FFAR1 (0.47) FFAR1FFAR4AKR1B1
SCHEMBL16624623 0.83 FFAR1 (0.52) FFAR1FFAR4AKR1B1
SCHEMBL16624844 0.83 FFAR1 (0.48) FFAR1FFAR4AKR1B1
SCHEMBL16624843 0.82 FFAR1 (0.47) FFAR1FFAR4AKR1B1
SCHEMBL20101406 0.79 FFAR1 (0.41) FFAR1CASP3SENP8SENP7SENP6

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