SCHEMBL8078233

SCHEMBL8078233

CC(=O)C1(C(C)=O)Cc2ccccc2C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.45
MMP8 P22894 2/20 0.42
HDAC9 Q9UKV0 1/20 0.41
ALDH1A1 P00352 1/20 0.39
HSD17B3 P37058 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL30645248 1.00 NOTUM (0.45) NOTUMMMP8HDAC9ALDH1A1HSD17B3
SCHEMBL8067852 0.87 NOTUM (0.39) NOTUMMMP8HDAC9ALDH1A1HSD17B3
SCHEMBL9770095 0.80 BRD4 (0.50) ALDH1A1NPC1RAB9APOLBL3MBTL1
SCHEMBL8114506 0.79 NOTUM (0.43) NOTUMHDAC9ALDH1A1HSD17B3NPC1
SCHEMBL30863938 0.78 MMP8 (0.47) NOTUMMMP8HDAC9ALDH1A1POLB
SCHEMBL1014144 0.78 MMP8 (0.47) NOTUMMMP8HDAC9ALDH1A1POLB
SCHEMBL12571286 0.77 NOTUM (0.42) NOTUMHDAC9ALDH1A1HSD17B3NPC1
SCHEMBL12203632 0.76 MEN1 (0.44) NOTUMMMP8HDAC9ALDH1A1POLB
SCHEMBL12373447 0.76 HDAC9 (0.42) NOTUMHDAC9ALDH1A1HSD17B3NPC1
SCHEMBL10876485 0.74 MEN1 (0.40) NOTUMMMP8HDAC9ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117186010-A Synthesis method of atimetazole hydrochloride 厦门欧瑞捷生物科技有限公司 2023-12-08 CN disclosed
CN-112225700-B Preparation method of atemezole 湖南新合新生物医药有限公司 2023-11-17 CN disclosed
CN-112225700-A Preparation method of altimezole 湖南新合新生物医药有限公司 2021-01-15 CN disclosed
CN-111925330-A Preparation method of altimezole 上海阿达玛斯试剂有限公司 2020-11-13 CN disclosed
JP-2000256236-A PRODUCTION OF OPTICALLY ACTIVE ALCOHOL COMPOUND SUMITOMO CHEM CO LTD 2000-09-19 JP disclosed