SCHEMBL14305201

SCHEMBL14305201

CC(C)(C)C1=C(O)C(=O)c2c(O)cccc2C1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 3/20 0.60
▸ MAPT P10636 5/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ MAPK1 P28482 3/20 0.58
▸ TDP1 Q9NUW8 3/20 0.58
▸ TSHR P16473 2/20 0.58
▸ HPGD P15428 2/20 0.58
▸ ALOX15 P16050 2/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ HSD17B10 Q99714 2/20 0.58
▸ MAOB P27338 2/20 0.58
▸ LMNA P02545 1/20 0.58
▸ HTT P42858 1/20 0.58
▸ KMT2A Q03164 5/20 0.53
▸ KDM4E B2RXH2 4/20 0.53
▸ RECQL P46063 4/20 0.53
▸ MEN1 O00255 4/20 0.53
▸ ELANE P08246 3/20 0.53
▸ CYP3A4 P08684 2/20 0.53
▸ USP2 O75604 2/20 0.53

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
SCHEMBL8459324 0.80 APAF1 (0.60) MAOAMAPTALDH1A1MAPK1TDP1
SCHEMBL5818633 0.79 MAOA (0.78) MAOAMAPTALDH1A1MAPK1TDP1
Anthrarufin SCHEMBL29363946 0.77 MAOA (1.00) MAOAMAPTALDH1A1MAPK1TDP1
Anthrarufin SCHEMBL29874705 0.77 MAOA (1.00) MAOAMAPTALDH1A1MAPK1TDP1
Anthrarufin SCHEMBL187843 0.77 MAOA (1.00) MAOAMAPTALDH1A1MAPK1TDP1
Droserone SCHEMBL5858407 0.77 MAOA (0.67) MAOAMAPTALDH1A1MAPK1TDP1
Droserone SCHEMBL30003199 0.77 MAOA (0.67) MAOAMAPTALDH1A1MAPK1TDP1
Danthron SCHEMBL30544826 0.75 MAPT (1.00) MAOAMAPTALDH1A1MAPK1TDP1
Anthrarufin SCHEMBL28419741 0.75 MAOA (0.95) MAOAMAPTALDH1A1MAPK1TDP1
Danthron SCHEMBL29356886 0.75 MAPT (1.00) MAOAMAPTALDH1A1MAPK1TDP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008008033-A1 THE USE OF NAPHTOQUINONES IN THE TREATMENT AND CONTROL OF DIABETES, INSULIN RESISTANCE AND HYPERGLYCEMIA GLUCOX BIOTECH AB (SE) 2008-01-17 — — WO disclosed
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