SCHEMBL7030875

SCHEMBL7030875

CC1=C(C=O)COc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.41
PKM P14618 2/20 0.40
TSHR P16473 2/20 0.40
MAPT P10636 2/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MIF P14174 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ACHE P22303 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAOA P21397 1/20 0.37
HRH1 P35367 3/20 0.37
KCNH2 Q12809 2/20 0.37
HTR2B P41595 2/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
SLC22A1 O15245 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37

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
SCHEMBL7026409 0.83 MEN1 (0.42) MAOBPKMTSHRMAPTSMN1; SMN2
SCHEMBL9370825 0.79 MAOB (0.41) MAOBPKMTSHRMAPTATM
SCHEMBL9376747 0.79 MAOB (0.44) MAOBPKMTSHRMAPTATM
SCHEMBL2327566 0.77 MIF (0.47) MAOBMAPTMIFMAOAALDH1A1
SCHEMBL7033347 0.76 MAOB (0.43) MAOBPKMTSHRMAPTATM
SCHEMBL8404567 0.75 TSHR (0.42) MAOBPKMTSHRMAPTATM
SCHEMBL2329488 0.73 MAOB (0.64) MAOBSMN1; SMN2MAOAHPGDALDH1A1
SCHEMBL3601241 0.73 ALDH1A1 (0.45) MAOBPKMMAPTMEN1KMT2A
SCHEMBL3601238 0.73 ALDH1A1 (0.45) MAOBPKMMAPTMEN1KMT2A
SCHEMBL6209822 0.72 MAOA (0.43) MAOBMAPTMIFMEN1KMT2A

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-6596758-B1 Treatment of dislipidaemias, atherosclerosis and diabetes, to pharmaceutical compositions comprising them and to processes allowing the preparation of these compounds. MERCK PATENT GMBH (DE) 2003-07-22 US disclosed
EP-1140893-B1 BENZOPYRANS AND BENZOXEPINES, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND PREPARATION PROCESS MERCK PATENT GMBH (DE) 2003-03-05 EP disclosed
EP-1140893-A1 BENZOPYRANS AND BENZOXEPINES, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND PREPARATION PROCESS MERCK PATENT GmbH (DE) 2001-10-10 EP disclosed
WO-2000039113-A1 BENZOPYRANS AND BENZOXEPINES, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND PREPARATION PROCESS MERCK PATENT GMBH (DE) 2000-07-06 WO disclosed