SCHEMBL7987829

SCHEMBL7987829

CC(C)Cc1ccc(C2(c3ccccc3)OC(=O)C(OCc3ccccc3)=C2O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.38
PPARG P37231 4/20 0.36
PPARA Q07869 3/20 0.36
MMP2 P08253 1/20 0.36
MMP13 P45452 1/20 0.36
RIPK1 Q13546 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
ALOX5 P09917 1/20 0.35
LTA4H P09960 2/20 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
PPARD Q03181 1/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
ESR1 P03372 1/20 0.35
TP53 P04637 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
SCHEMBL7984804 0.86 MMP2 (0.38) MAOBPPARGPPARAMMP2MMP13
SCHEMBL7983512 0.84 GSTP1 (0.40) MMP2MMP13PTGS1SLC6A2MAPT
SCHEMBL7985445 0.82 MAOB (0.35) MAOBPPARGPPARAMMP2MMP13
SCHEMBL7991411 0.74 MMP2 (0.42) MAOBMMP2MMP13RIPK1PTGS1
SCHEMBL20714885 0.72 CFTR (0.67) MAPTMEN1ALDH1A1LMNAESR1
SCHEMBL7984732 0.70 MMP2 (0.41) MAOBMMP2MMP13RIPK1MAPT
SCHEMBL7972995 0.69 MMP2 (0.40) MAOBMMP2MMP13RIPK1RAB9A
SCHEMBL2736160 0.68 LTA4H (0.61) MAOBPPARGPPARAFFAR4LTA4H
SCHEMBL20715188 0.68 LMNA (0.56) MAPTMEN1ALDH1A1LMNAESR1
SCHEMBL7984522 0.67 MRGPRX4 (0.37) MMP2MMP13RIPK1ALOX5MAPT

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