SCHEMBL6240607

SCHEMBL6240607

CCC(C(N)=O)c1ccoc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.50
TRPA1 O75762 1/20 0.37
EPHX1 P07099 2/20 0.36
CYP3A4 P08684 1/20 0.36
CXCR1 P25024 1/20 0.34
CXCR2 P25025 1/20 0.34
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
CETP P11597 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31

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
Fenbutyramide SCHEMBL1477997 0.73 EPHX1 (0.63) EPHX1LMNAHSD17B10
Fenbutyramide SCHEMBL232920 0.73 EPHX1 (0.63) EPHX1LMNAHSD17B10
Fenbutyramide SCHEMBL1478462 0.73 EPHX1 (0.63) EPHX1LMNAHSD17B10
SCHEMBL26898446 0.72 ALDH1A1 (0.50) ALOX5EPHX1CYP3A4MMP9MMP8
SCHEMBL4943215 0.72 LMNA (0.54) EPHX1CYP3A4MMP9MMP8MMP13
SCHEMBL2290009 0.72 EPHX1 (0.43) EPHX1CYP3A4MMP9MMP8MMP13
SCHEMBL28234925 0.72 CRHBP (0.53) EPHX1MMP9MMP8MMP13LMNA
Hydrochloric Acid SCHEMBL4373252 0.72 ALOX5 (0.50) ALOX5TRPA1CYP3A4SLC1A3SLC1A2
Fenbutyramide SCHEMBL15995561 0.72 EPHX1 (0.61) EPHX1LMNAHSD17B10
SCHEMBL2244613 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077928-B1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2005-12-07 EP disclosed
EP-1077927-B1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2005-12-07 EP disclosed
CN-1300277-A Novel substituted cyclic compounds, preparation method and pharmaceutical compositions containing them ADIR (FR) 2001-06-20 CN disclosed