SCHEMBL9488175

SCHEMBL9488175

COc1ccc(COc2ccc3c(c2)CCC3N(O)C(N)=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.47
MAOB P27338 1/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP7 P09237 1/20 0.44
MMP9 P14780 1/20 0.44
MMP12 P39900 1/20 0.44
MMP14 P50281 1/20 0.44
MMP15 P51511 1/20 0.44
MMP16 P51512 1/20 0.44
MMP26 Q9NRE1 1/20 0.44
FFAR1 O14842 1/20 0.43

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
SCHEMBL9492876 0.94 FFAR1 (0.45) FFAR1
SCHEMBL9215988 0.89 MAOB (0.46) MAOB
SCHEMBL9215265 0.89 LIPG (0.49) FFAR1
SCHEMBL9597703 0.87 SLC6A9 (0.46) PPARD
SCHEMBL9216295 0.86 PPARD (0.49) PPARDMAOB
SCHEMBL9597206 0.85 PPARD (0.43) PPARD
SCHEMBL9216059 0.85 SCN3A (0.45) MAOBFFAR1
SCHEMBL9492388 0.83 MAOA (0.49) MAOB
SCHEMBL9488819 0.83 FFAR1 (0.51) FFAR1
SCHEMBL9216200 0.82 PPARD (0.45) PPARDMAOB

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-0522000-A1 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-01-13 EP claimed
WO-1991014674-A2 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1991-10-03 WO claimed