SCHEMBL8938848

SCHEMBL8938848

COc1ccc(C2=C(C)Cc3cc(OC)c(OC)cc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
ALDH1A1 P00352 1/20 0.50
KDM4E B2RXH2 2/20 0.48
PDE10A Q9Y233 1/20 0.43
MAPT P10636 2/20 0.41
CYP3A4 P08684 1/20 0.41
ABCB1 P08183 2/20 0.40
ABCC1 P33527 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
CYP19A1 P11511 1/20 0.40
BACE1 P56817 1/20 0.40
TDP2 O95551 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39

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
SCHEMBL16913126 0.79 METAP1 (0.43) LMNAKDM4EMAPTCYP3A4TDP2
SCHEMBL16913303 0.77 CHEK1 (0.45) KDM4EPDE10AMAPTHTT
SCHEMBL17020946 0.76 ESR1 (0.44) LMNAKDM4EMAPTCYP3A4BACE1
SCHEMBL18602248 0.71 BACE1 (0.51) LMNAALDH1A1KDM4ECYP3A4ABCB1
SCHEMBL8938835 0.70 CYP3A4 (0.58) LMNAALDH1A1KDM4EPDE10AMAPT
SCHEMBL17625718 0.69 BACE1 (0.63) LMNAALDH1A1KDM4ECYP3A4ABCB1
SCHEMBL7981630 0.69 MAPT (0.75) ALDH1A1KDM4EMAPTCYP3A4ABCB1
SCHEMBL16913220 0.69 CYP11B2 (0.56) ALDH1A1KDM4ECYP3A4CYP19A1HPGD
SCHEMBL8938825 0.69 ALDH1A1 (0.44) LMNAALDH1A1KDM4EMAPTCYP3A4
SCHEMBL6961118 0.68 CHEK1 (0.80)

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-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