SCHEMBL7984804

SCHEMBL7984804

CC(C)Cc1ccc(C2(C)OC(=O)C(OCc3ccccc3)=C2O)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.38
MMP13 P45452 1/20 0.38
MAOB P27338 2/20 0.38
MMP9 P14780 1/20 0.36
ADAM17 P78536 1/20 0.36
PPARG P37231 3/20 0.36
PPARA Q07869 2/20 0.36
CA9 Q16790 1/20 0.36
ACACB O00763 1/20 0.35
RIPK1 Q13546 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
ALOX5 P09917 1/20 0.35
PGR P06401 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 1/20 0.35
LTA4H P09960 1/20 0.35
PPARD Q03181 1/20 0.35

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
SCHEMBL7991411 0.87 MMP2 (0.42) MMP2MMP13MAOBCA9RIPK1
SCHEMBL7987829 0.86 MAOB (0.38) MMP2MMP13MAOBPPARGPPARA
SCHEMBL7984732 0.85 MMP2 (0.41) MMP2MMP13MAOBCA9RIPK1
SCHEMBL7972995 0.84 MMP2 (0.40) MMP2MMP13MAOBCA9RIPK1
SCHEMBL7985445 0.82 MAOB (0.35) MMP2MMP13MAOBPPARGPPARA
SCHEMBL7973252 0.79 MMP1 (0.38) MMP2MMP9ADAM17ALOX5PTGS1
SCHEMBL6926579 0.79 MMP1 (0.38) MMP2MMP9ADAM17ALOX5PTGS1
SCHEMBL7983512 0.69 GSTP1 (0.40) MMP2MMP13MMP9PTGS1SLC6A2
SCHEMBL2736160 0.68 LTA4H (0.61) MAOBPPARGPPARAFFAR4PTGS1
SCHEMBL20265988 0.66 TSHR (0.62) MAOBALOX5PTGS1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6262073-B1 INHIBITING THE ACTION OF A PRO-INFLAMMATORY CYTOKINE OXIS INTERNATIONAL INC. 2001-07-17 US disclosed
US-6136832-A RACEMIC MIXTURES AND ENANTIOMORPHS OXIS INTERNATIONAL INC. (US) 2000-10-24 US disclosed
US-6005000-A 5,5-Disubstituted-3, 4-dihydroxy-2(5H)-furanones and methods of use therefor OXIS INTERNATIONAL, INC. (US) 1999-12-21 US disclosed
EP-0938482-A1 5-SUBSTITUTED AND 5,5-DISUBSTITUTED-3,4-DIHYDROXY-2(5H)-FURANONES AND METHODS OF USE THEREFOR Oxis International, Inc. (US) 1999-09-01 EP disclosed
WO-1998007714-A1 5-SUBSTITUTED AND 5,5-DISUBSTITUTED-3,4-DIHYDROXY-2(5H)-FURANONES AND METHODS OF USE THEREFOR OXIS INTERNATIONAL, INC. (US) 1998-02-26 WO disclosed