SCHEMBL5723672

SCHEMBL5723672

O=c1cc(O)c2ccc3occc3c2o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.57
MAOB P27338 3/20 0.56
MAOA P21397 2/20 0.56
NFKB1 P19838 1/20 0.56
ALDH1A1 P00352 6/20 0.50
CYP1A1 P04798 5/20 0.50
CYP1B1 Q16678 5/20 0.50
MAPT P10636 5/20 0.50
CYP3A4 P08684 4/20 0.50
KDM4E B2RXH2 4/20 0.50
CCNT1 O60563 1/20 0.50
CDK7 P50613 1/20 0.50
CDK9 P50750 1/20 0.50
CCNH P51946 1/20 0.50
MNAT1 P51948 1/20 0.50
CYP1A2 P05177 2/20 0.49
HPGD P15428 2/20 0.49
CYP2A6 P11509 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 2/20 0.49

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
SCHEMBL9118095 0.80 CYP1A2 (0.64) MAOBMAOANFKB1ALDH1A1CYP1A1
SCHEMBL30728734 0.73 MAOA (0.60) MAOBMAOANFKB1ALDH1A1CYP1A1
SCHEMBL5351976 0.73 MET (1.00) METMAOBALDH1A1MAPTCYP3A4
Angelicin SCHEMBL29468230 0.72 MAOA (1.00) MAOBMAOANFKB1ALDH1A1CYP1A1
Angelicin SCHEMBL376379 0.72 MAOA (1.00) MAOBMAOANFKB1ALDH1A1CYP1A1
Angelicin SCHEMBL8726499 0.72 MAOA (1.00) MAOBMAOANFKB1ALDH1A1CYP1A1
SCHEMBL2761855 0.71 KMT2A (0.66) METALDH1A1CYP1A1CYP1B1MAPT
SCHEMBL5345045 0.70 MAOB (0.77) METMAOBALDH1A1MAPTCYP3A4
SCHEMBL23640376 0.70 KDM4E (0.57) METMAOANFKB1ALDH1A1CYP1A1
SCHEMBL1115503 0.70 ALDH1A1 (0.66) MAOBMAOANFKB1ALDH1A1CYP1A1

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
EP-0771794-B1 OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO KK (JP) 2006-05-03 EP disclosed