SCHEMBL7984708

SCHEMBL7984708

C#CCCC1OC(=O)C(OCc2ccccc2)=C1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 1/20 0.38
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTGS2 P35354 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HIF1A Q16665 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
SIRT1 Q96EB6 3/20 0.34
SRD5A2 P31213 1/20 0.34
NSD2 O96028 1/20 0.34
ABL1 P00519 1/20 0.34
PPARG P37231 1/20 0.34
RIN1 Q13671 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
MAOB P27338 2/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL7984845 0.83 HPSE (0.44) HPSELMNACYP1A2PTGS1SLC6A2
SCHEMBL7972796 0.82 HPSE (0.40) HPSELMNACYP1A2PTGS1SLC6A2
SCHEMBL8775462 0.80 HPSE (0.43) HPSELMNACYP1A2PTGS1SLC6A2
SCHEMBL8775237 0.80 HPSE (0.43) HPSELMNACYP1A2PTGS1SLC6A2
SCHEMBL8775300 0.80 HPSE (0.43) HPSELMNACYP1A2PTGS1SLC6A2
SCHEMBL8775103 0.79 HPSE (0.54) HPSEMAOB
SCHEMBL8775421 0.79 HPSE (0.54) HPSEMAOB
SCHEMBL8775211 0.79 HPSE (0.54) HPSEMAOB
SCHEMBL8775118 0.76 HPSE (0.48) HPSEMAOB
SCHEMBL8775107 0.76 HPSE (0.48) HPSEMAOB

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