SCHEMBL8938819

SCHEMBL8938819

C1=CC(c2ccc(OCc3ccccc3)cc2)c2cc(OCc3ccccc3)c(OCc3ccccc3)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTGS2 P35354 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HIF1A Q16665 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MAOB P27338 5/20 0.42
MAOA P21397 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TOP1 P11387 1/20 0.42
ALOX5 P09917 1/20 0.41
GSTP1 P09211 1/20 0.40
BCHE P06276 1/20 0.40

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
SCHEMBL8938915 0.73 MAOB (0.44) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL339813 0.69 LMNA (0.82) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL27367676 0.69 LMNA (0.82) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL13412635 0.68 ALOX5 (0.63) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL25265196 0.67 LMNA (0.44) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL25188259 0.67 LMNA (0.44) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL8550039 0.66 TNKS2 (0.47) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL10272647 0.66 MRGPRX4 (0.64) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL10609652 0.65 LMNA (0.75) LMNACYP1A2PTGS1SLC6A2CYP2C19
Benzylphenylether SCHEMBL61660 0.65 LMNA (0.74) LMNACYP1A2PTGS1SLC6A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5543298-A ADDING SPECIFIED COMPOUND TO LIQUID SAMPLE, MEASURING RATE OF AUTOOXIDATION SPECTROPHOTOMETRICALLY OXIS INTERNATIONAL S.A. (FR) 1996-08-06 US disclosed
EP-0625209-B1 METHOD FOR ASSAYING THE SOD ACTIVITY BY USING A SELF- OXIDIZABLE COMPOUND NECESSARY FOR ITS IMPLEMENTATION, SELF- OXIDIZABLE COMPOUNDS AND PREPARATION THEREOF OXIS INT SA (FR) 1996-07-17 EP disclosed
WO-1993011258-A1 METHOD FOR ASSAYING THE SOD ACTIVITY BY USING A SELF-OXIDIZABLE COMPOUND NECESSARY FOR ITS IMPLEMENTATION, SELF-OXIDIZABLE COMPOUNDS AND PREPARATION THEREOF BIOXYTECH (FR) 1993-06-10 WO disclosed