SCHEMBL30159367

SCHEMBL30159367

Cc1ccc(CCC(=O)O)cc1CO

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.53
FFAR1 O14842 13/20 0.51
FFAR4 Q5NUL3 8/20 0.50
KEAP1 Q14145 1/20 0.47

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
SCHEMBL28261013 1.00 NPSR1 (0.53) NPSR1FFAR1FFAR4KEAP1
SCHEMBL14110345 0.89 NPSR1 (0.53) NPSR1FFAR1FFAR4KEAP1
SCHEMBL15355980 0.85 FFAR1 (0.52) FFAR1FFAR4KEAP1
SCHEMBL14369972 0.83 NPSR1 (0.47) NPSR1FFAR1FFAR4
SCHEMBL585013 0.83 FFAR4 (0.58) NPSR1FFAR1FFAR4KEAP1
SCHEMBL18541177 0.82 PKM (0.51) FFAR1FFAR4KEAP1
SCHEMBL29901118 0.81 CYP4F2 (0.45)
SCHEMBL1750638 0.81 FFAR1 (0.51) FFAR1FFAR4KEAP1
SCHEMBL12451965 0.80 PPARA (0.56) FFAR1FFAR4
SCHEMBL20289308 0.80 CYP4F2 (0.64)

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
EP-4110776-A1 NEW MACROCYCLIC COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Les Laboratoires Servier (FR) 2023-01-04 EP disclosed