SCHEMBL8938822

SCHEMBL8938822

COc1cc2c(cc1OC)C(=O)C(C)(C)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
SLC2A1 P11166 1/20 0.48
KDM4E B2RXH2 4/20 0.47
MAPT P10636 3/20 0.47
TP53 P04637 1/20 0.47
NTSR1 P30989 1/20 0.47
CYP3A4 P08684 2/20 0.47
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46
ACHE P22303 1/20 0.46
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL7839805 0.88 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AL3MBTL1CA1
SCHEMBL23362041 0.88 HTR2A (0.44) ALDH1A1MEN1KMT2AL3MBTL1CA1
SCHEMBL7514048 0.82 MEN1 (0.49) ALDH1A1MEN1KMT2AL3MBTL1CA1
SCHEMBL5666036 0.77 CA1 (0.44) ALDH1A1MEN1KMT2AL3MBTL1CA1
SCHEMBL3822417 0.77 CA1 (0.44) ALDH1A1MEN1KMT2AL3MBTL1CA1
SCHEMBL5191875 0.77 CA1 (0.44) ALDH1A1MEN1KMT2AL3MBTL1CA1
SCHEMBL29713976 0.77 SMN1; SMN2 (0.49) ALDH1A1MEN1KMT2AL3MBTL1CA1
SCHEMBL27188910 0.77 SMN1; SMN2 (0.49) ALDH1A1MEN1KMT2AL3MBTL1CA1
SCHEMBL2303286 0.77 HTR2A (0.45) L3MBTL1
SCHEMBL10958458 0.76 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AL3MBTL1SLC2A1

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