SCHEMBL21246906

SCHEMBL21246906

CC(C)(C)OC(=O)n1cc(O)c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.59
EPHX1 P07099 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PIM1 P11309 1/20 0.48
MARK3 P27448 1/20 0.48
MAP4K2 Q12851 1/20 0.48
CAMK2B Q13554 1/20 0.48
PIM3 Q86V86 1/20 0.48
PIM2 Q9P1W9 1/20 0.48
HTR6 P50406 2/20 0.47
ACHE P22303 1/20 0.46
BRD4 O60885 1/20 0.46
CREBBP Q92793 1/20 0.46
PDE10A Q9Y233 1/20 0.45
BCHE P06276 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44

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
SCHEMBL1196430 0.84 L3MBTL1 (0.59) L3MBTL1EPHX1MEN1KMT2APIM1
SCHEMBL1196432 0.84 L3MBTL1 (0.62) L3MBTL1EPHX1MEN1KMT2APIM1
SCHEMBL21259294 0.84 L3MBTL1 (0.59) L3MBTL1EPHX1MEN1KMT2APIM1
SCHEMBL21259416 0.83 L3MBTL1 (0.57) L3MBTL1EPHX1MEN1KMT2APIM1
SCHEMBL15853328 0.83 L3MBTL1 (0.57) L3MBTL1EPHX1MEN1KMT2APIM1
SCHEMBL10819499 0.83 L3MBTL1 (0.57) L3MBTL1EPHX1MEN1KMT2APIM1
SCHEMBL29651127 0.83 L3MBTL1 (0.57) L3MBTL1EPHX1MEN1KMT2APIM1
SCHEMBL14222808 0.83 L3MBTL1 (0.57) L3MBTL1EPHX1MEN1KMT2APIM1
SCHEMBL1055676 0.83 L3MBTL1 (0.57) L3MBTL1EPHX1MEN1KMT2APIM1
SCHEMBL20033885 0.83 L3MBTL1 (0.57) L3MBTL1EPHX1MEN1KMT2APIM1

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-115785103-A Synthetic method of medicine fubatinib for treating bile duct cancer 北京康立生医药技术开发有限公司 2023-03-14 CN disclosed
CN-108299279-B Substituted arylaminol compounds, methods of making, and uses thereof 北京梅尔森医药技术开发有限公司 2021-03-23 CN disclosed
WO-2019153216-A1 SUBSTITUTED ARYLAMINO ALCOHOL COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 北京梅尔森医药技术开发有限公司 2019-08-15 WO disclosed
WO-2019153216-A1 SUBSTITUTED ARYLAMINO ALCOHOL COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 北京梅尔森医药技术开发有限公司 2019-08-15 WO disclosed
CN-108299279-A Substituted aryl amine alcohol compound and its preparation method and application 北京梅尔森医药技术开发有限公司 2018-07-20 CN disclosed