SCHEMBL7987830

SCHEMBL7987830

O=C1OC(CCOc2ccccc2Oc2ccccc2)C(OCc2ccccc2)=C1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.41
ADRA1D P25100 3/20 0.41
ADRA1A P35348 3/20 0.41
ADRA1B P35368 3/20 0.41
HPSE Q9Y251 1/20 0.40
EZH2 Q15910 1/20 0.36
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CDK4 P11802 1/20 0.34
CCNB1 P14635 1/20 0.34
CCND1 P24385 1/20 0.34
CCNB3 Q8WWL7 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
MCL1 Q07820 1/20 0.34
BRD4 O60885 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
SCHEMBL7987827 0.88 LTA4H (0.41) HPSEPPARGMCL1
SCHEMBL16950232 0.87 TAAR1 (0.43) HTR1AADRA1DADRA1AADRA1BHPSE
SCHEMBL7973244 0.77 HPSE (0.49) HPSENSD2ABL1PPARGRIN1
SCHEMBL17068348 0.75 TAAR1 (0.41) HTR1AADRA1DADRA1AADRA1BHPSE
SCHEMBL16950169 0.70 HPSE (0.59) HPSEL3MBTL1
SCHEMBL7985703 0.69 HPSE (0.44) HPSENSD2ABL1PPARGRIN1
SCHEMBL14372169 0.65 HPSE (0.39) HPSENSD2ABL1PPARGRIN1
SCHEMBL22494053 0.65 HPSE (0.39) HPSENSD2ABL1PPARGRIN1
SCHEMBL17068324 0.64 HPSE (0.47) HPSEL3MBTL1MAOB
SCHEMBL5538708 0.64 MAPT (0.63) HTR1AADRA1DADRA1AADRA1BCCNB2

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