SCHEMBL7395992

SCHEMBL7395992

COC(=O)CCc1ccc2c(CCC(=O)O)oc(N)c2c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.39
FFAR1 O14842 6/20 0.38
VDR P11473 3/20 0.37
PPARD Q03181 2/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
FFAR4 Q5NUL3 2/20 0.36
PLA2G4A P47712 1/20 0.36
KDM4E B2RXH2 2/20 0.36
TP53 P04637 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL7395988 0.83 KDM4E (0.46) PTPN1FFAR1KDM4ETP53HSD17B10
SCHEMBL1587088 0.76 FFAR1 (0.59) FFAR1FFAR4
SCHEMBL7228564 0.71 SLC7A5 (0.41) PTPN1SIRT2KDM4EHSD17B10
4-Hydroxyhydrocinnamic Acid Methyl Ester SCHEMBL8767620 0.70 FFAR1 (0.54) FFAR1FFAR4
SCHEMBL7824247 0.70 FFAR1 (0.54) FFAR1HSD17B10
SCHEMBL18046156 0.70 ALDH1A1 (0.53) PTPN1SIRT2KDM4ETP53HSD17B10
Methyl 3-Phenylpropanoate SCHEMBL213543 0.70 KEAP1 (0.70) FFAR1FFAR4KDM4E
SCHEMBL7283109 0.70 ALDH1A1 (0.57) HSD17B10
SCHEMBL5286882 0.69 FFAR1 (0.70) FFAR1FFAR4
SCHEMBL22922181 0.69 CYP4F2 (0.59) HSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1133491-A1 NOVEL BENZOFURANE DERIVATIVES, PREPARATION METHOD, USE AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2001-09-19 EP disclosed
WO-2000031070-A1 NOVEL BENZOFURANE DERIVATIVES, PREPARATION METHOD, USE AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 2000-06-02 WO disclosed