SCHEMBL9490580

SCHEMBL9490580

CC(=O)N(O)C1CCc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 2/20 0.50
GRIN1 Q05586 1/20 0.49
GRIN2B Q13224 1/20 0.49
FFAR1 O14842 1/20 0.49
MMP1 P03956 3/20 0.48
MMP2 P08253 3/20 0.48
MMP7 P09237 3/20 0.48
MMP9 P14780 3/20 0.48
MMP12 P39900 3/20 0.48
MMP14 P50281 3/20 0.48
MMP15 P51511 3/20 0.48
MMP16 P51512 3/20 0.48
MMP26 Q9NRE1 3/20 0.48
ALOX5 P09917 1/20 0.48
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
USP2 O75604 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
MAOB P27338 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
SCHEMBL9490586 0.93 FFAR1 (0.51) GHSRGRIN1GRIN2BFFAR1MMP1
SCHEMBL9215265 0.89 LIPG (0.49) GRIN1GRIN2BFFAR1LIPG
SCHEMBL9493490 0.84 NPC1 (0.47) ALOX5PTGS1PTGS2MAOB
SCHEMBL9200460 0.83 PPARD (0.43) ALOX5PTGS1PTGS2
SCHEMBL9491752 0.83 FFAR1 (0.46) FFAR1ALOX5
SCHEMBL9488819 0.82 FFAR1 (0.51) FFAR1
SCHEMBL9597603 0.80 MTNR1A (0.47)
SCHEMBL9488175 0.80 PPARD (0.47) FFAR1MMP1MMP2MMP7MMP9
SCHEMBL9534252 0.78 PPARD (0.51) ALOX5MAOB
SCHEMBL9215988 0.78 MAOB (0.46) MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5256789-A Antiinflammatory hydroxamic acids and N-hydroxyureas PFIZER INC. (US) 1993-10-26 US disclosed
EP-0522000-A1 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-01-13 EP disclosed
WO-1991016298-A1 ANTIINFLAMMATORY HYDROXAMIC ACIDS AND N-HYDROXYUREAS PFIZER INC (US) 1991-10-31 WO disclosed
WO-1991014674-A2 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1991-10-03 WO disclosed