SCHEMBL6573676

SCHEMBL6573676

CC(=O)[C]1Cc2ccccc2O1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
HSD17B3 P37058 1/20 0.39
NOTUM Q6P988 3/20 0.38
GAA P10253 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ACSL1 P33121 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35

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
Xanthene SCHEMBL27518873 0.80 MAOA (0.71) MAOAMAOBHSD17B3NOTUMGAA
Xanthene SCHEMBL11805046 0.80 MAOA (0.71) MAOAMAOBHSD17B3NOTUMGAA
SCHEMBL1128333 0.74 MAOA (0.46) MAOAMAOBHSD17B3GAASMN1; SMN2
SCHEMBL10845751 0.74 MAOA (0.55) MAOAMAOBACSL1KDM4ENPC1
SCHEMBL9058487 0.73 MAOA (0.44) MAOAMAOBHSD17B3GAASMN1; SMN2
SCHEMBL8470353 0.73 MAOA (0.65) MAOAMAOBHSD17B3GAASMN1; SMN2
Xanthene SCHEMBL30838605 0.72 MAOA (0.71) MAOAMAOBGAASMN1; SMN2ACSL1
SCHEMBL10159163 0.72 MAOA (0.58) MAOAMAOBHSD17B3NOTUMGAA
SCHEMBL11805061 0.72 MAOA (0.47) MAOAMAOBHSD17B3SMN1; SMN2ACSL1
Xanthene SCHEMBL29378346 0.71 MAOA (1.00) MAOAMAOBGAASMN1; SMN2ACSL1

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
JP-2004123557-A ARYLOXYMETHYLOXADIAZOLE DERIVATIVE TAISHO PHARMACEUT CO LTD 2004-04-22 JP disclosed