SCHEMBL8938835

SCHEMBL8938835

COc1ccc(C2=CCc3cc(OC)c(OC)cc32)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.58
LMNA P02545 2/20 0.51
ALDH1A1 P00352 1/20 0.51
KDM4E B2RXH2 1/20 0.46
PDE10A Q9Y233 1/20 0.44
HTT P42858 2/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ABCB1 P08183 4/20 0.41
ABCC1 P33527 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
BACE1 P56817 2/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
MAPK1 P28482 1/20 0.39
CYP1A1 P04798 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
SCHEMBL7037948 0.85 PDGFRB (0.45) CYP3A4LMNAKDM4EPDE10AHTT
SCHEMBL14259333 0.77 CYP3A4 (0.57) CYP3A4KDM4EMAPTABCB1BACE1
SCHEMBL18770329 0.75 CYP3A4 (0.97) CYP3A4KDM4E
SCHEMBL31414398 0.74 CYP3A4 (0.58) CYP3A4MAPTBACE1CA1CA2
SCHEMBL28745502 0.73 MAOB (0.55) CYP3A4LMNAKDM4EBACE1MAPK1
SCHEMBL27562784 0.73 CYP3A4 (0.47) CYP3A4ALDH1A1KDM4EHTTMAPT
SCHEMBL28745495 0.73 CYP3A4 (0.47) CYP3A4ALDH1A1KDM4EMAPTHPGD
SCHEMBL27560626 0.72 CYP3A4 (0.46) CYP3A4ALDH1A1
SCHEMBL27560648 0.71 MAOB (0.46) CYP3A4
SCHEMBL17625718 0.70 BACE1 (0.63) CYP3A4LMNAALDH1A1KDM4EABCB1

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 4 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
EP-0625209-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) 1994-11-23 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