SCHEMBL30159484

SCHEMBL30159484

Cc1c(CCC(=O)O)ccc(F)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 12/20 0.41
FFAR1 O14842 11/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.39
FBP1 P09467 1/20 0.38

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
SCHEMBL2491279 0.85 NPSR1 (0.47) FFAR4FFAR1NPSR1POLBFBP1
SCHEMBL29901105 0.83 CYP4F2 (0.46) POLB
SCHEMBL30159425 0.79 BCL9 (0.44)
SCHEMBL31392210 0.79 FFAR1 (0.41) FFAR4FFAR1FBP1
SCHEMBL29130747 0.78 CA1 (0.42) FFAR4FFAR1NPSR1POLBFBP1
SCHEMBL8796401 0.78 NPSR1 (0.48) FFAR4FFAR1NPSR1POLB
SCHEMBL2492917 0.78 ALDH1A1 (0.41) NPSR1
SCHEMBL585512 0.74 NPSR1 (0.48) FFAR4FFAR1NPSR1POLB
SCHEMBL543918 0.73 TSHR (0.51) POLB
SCHEMBL14842322 0.73 CYP1A2 (0.49) FFAR4FFAR1

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