SCHEMBL8938863

SCHEMBL8938863

COc1ccc2c(c1)CCC(CCc1ccc(OC)c(OC)c1)C2=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP24A1 Q07973 6/20 0.60
▸ CYP26A1 O43174 3/20 0.60
▸ CYP19A1 P11511 3/20 0.57
▸ CYP27A1 Q02318 3/20 0.55
▸ CYP3A4 P08684 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ LMNA P02545 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ METAP1 P53582 2/20 0.46
▸ NPY5R Q15761 1/20 0.46
▸ DRD2 P14416 1/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ HTR2C P28335 1/20 0.45
▸ HTR2B P41595 1/20 0.45
▸ SIGMAR1 Q99720 1/20 0.45
▸ GAA P10253 1/20 0.45

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
SCHEMBL8938852 0.88 CYP24A1 (0.73) CYP24A1CYP26A1CYP19A1CYP27A1CYP3A4
SCHEMBL4853888 0.78 CYP24A1 (0.65) CYP24A1CYP26A1CYP19A1CYP27A1METAP1
SCHEMBL630276 0.78 CYP24A1 (0.70) CYP24A1CYP26A1CYP19A1CYP27A1METAP1
SCHEMBL14165623 0.76 CYP24A1 (0.66) CYP24A1CYP26A1CYP19A1CYP27A1METAP1
SCHEMBL14159089 0.76 CYP24A1 (0.69) CYP24A1CYP26A1CYP19A1CYP27A1METAP1
SCHEMBL15904627 0.76 CYP24A1 (0.59) CYP24A1CYP26A1CYP19A1CYP27A1METAP1
SCHEMBL4621209 0.76 CYP24A1 (0.65) CYP24A1CYP26A1CYP19A1CYP27A1METAP1
SCHEMBL10427028 0.76 CYP3A4 (0.54) CYP3A4MAPT
SCHEMBL7245357 0.76 CYP24A1 (0.80) CYP24A1CYP26A1CYP19A1CYP27A1DRD2
SCHEMBL7590283 0.75 METAP1 (0.78) CYP24A1CYP26A1CYP19A1CYP27A1METAP1

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
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