SCHEMBL8938852

SCHEMBL8938852

COc1ccc2c(c1)CCC(Cc1ccc(OC)c(OC)c1)C2=O

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 6/20 0.73
CYP26A1 O43174 4/20 0.73
CYP19A1 P11511 3/20 0.69
CYP3A4 P08684 4/20 0.65
MAPT P10636 3/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
CYP27A1 Q02318 3/20 0.63
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.55
HPGD P15428 2/20 0.53
USP2 O75604 1/20 0.53
TP53 P04637 1/20 0.53
ALOX15 P16050 1/20 0.53
ALOX12 P18054 1/20 0.53
ACHE P22303 2/20 0.50

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
SCHEMBL8938863 0.88 CYP24A1 (0.60) CYP24A1CYP26A1CYP19A1CYP3A4MAPT
SCHEMBL7245357 0.85 CYP24A1 (0.80) CYP24A1CYP26A1CYP19A1CYP27A1ACHE
SCHEMBL8159828 0.84 CYP26A1 (0.78) CYP24A1CYP26A1CYP19A1CYP27A1ACHE
SCHEMBL8203668 0.82 CYP26A1 (0.79) CYP24A1CYP26A1CYP19A1CYP27A1ACHE
SCHEMBL6827615 0.82 CYP19A1 (1.00) CYP24A1CYP26A1CYP19A1CYP27A1
SCHEMBL2877992 0.81 CYP26A1 (0.76) CYP24A1CYP26A1CYP19A1CYP27A1ACHE
SCHEMBL630276 0.79 CYP24A1 (0.70) CYP24A1CYP26A1CYP19A1CYP27A1
SCHEMBL8615426 0.79 CYP24A1 (0.60) CYP24A1CYP26A1CYP19A1CYP27A1ACHE
SCHEMBL903653 0.79 CYP24A1 (0.50) CYP24A1CYP26A1CYP19A1MAPTSMN1; SMN2
Deoxysappanone B Trimethyl Ether SCHEMBL29903817 0.79 CYP3A4 (1.00) CYP24A1CYP26A1CYP19A1CYP3A4MAPT

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