SCHEMBL7987827

SCHEMBL7987827

O=C1OC(CCOc2ccc(Oc3ccccc3)cc2)C(OCc2ccccc2)=C1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.41
FFAR1 O14842 2/20 0.41
FFAR4 Q5NUL3 1/20 0.41
PLA2G2A P14555 1/20 0.40
HPSE Q9Y251 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
MCL1 Q07820 1/20 0.39
PPARG P37231 1/20 0.39
GSTP1 P09211 1/20 0.39
MGLL Q99685 1/20 0.39
GRM2 Q14416 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGS2 P35354 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HIF1A Q16665 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL16950232 0.95 TAAR1 (0.43) HPSETAAR1PPARGGSTP1MGLL
SCHEMBL7987830 0.88 HTR1A (0.41) HPSEMCL1PPARG
SCHEMBL17068348 0.82 TAAR1 (0.41) HPSETAAR1GSTP1GRM2LMNA
SCHEMBL16976445 0.78 LTA4H (0.51) LTA4HPLA2G2ALMNACYP1A2SLC6A2
SCHEMBL16950169 0.74 HPSE (0.59) LTA4HHPSELMNA
SCHEMBL6930004 0.74 LTA4H (0.44) LTA4HFFAR4PLA2G2ATAAR1PPARG
SCHEMBL11849334 0.71 LMNA (0.69) LTA4HFFAR1FFAR4PPARGGSTP1
SCHEMBL7985703 0.70 HPSE (0.44) HPSEPPARGLMNACYP1A2PTGS1
SCHEMBL5538712 0.69 LMNA (0.72) LTA4HFFAR1FFAR4GSTP1LMNA
SCHEMBL891493 0.67 FFAR1 (0.69) LTA4HFFAR1FFAR4PPARGLMNA

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