SCHEMBL21246901

SCHEMBL21246901

CC1OC1Oc1cn(C(=O)OC(C)(C)C)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
BRD4 O60885 1/20 0.46
CREBBP Q92793 1/20 0.46
EPHX1 P07099 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PIM1 P11309 1/20 0.44
MARK3 P27448 1/20 0.44
MAP4K2 Q12851 1/20 0.44
CAMK2B Q13554 1/20 0.44
PIM3 Q86V86 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
HTR6 P50406 1/20 0.40
ACHE P22303 1/20 0.40
PDE10A Q9Y233 1/20 0.39
ADAM17 P78536 1/20 0.39
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 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
SCHEMBL27449574 0.78 L3MBTL1 (0.54) L3MBTL1BRD4CREBBPEPHX1MEN1
SCHEMBL1520892 0.78 L3MBTL1 (0.70) L3MBTL1BRD4CREBBPEPHX1MEN1
SCHEMBL5958192 0.78 L3MBTL1 (0.51) L3MBTL1BRD4CREBBPEPHX1MEN1
SCHEMBL28566778 0.77 L3MBTL1 (0.48) L3MBTL1BRD4CREBBPEPHX1MEN1
SCHEMBL28552084 0.77 L3MBTL1 (0.48) L3MBTL1BRD4CREBBPEPHX1MEN1
SCHEMBL7004454 0.77 L3MBTL1 (0.53) L3MBTL1BRD4CREBBPEPHX1MEN1
SCHEMBL21246900 0.77 L3MBTL1 (0.53) L3MBTL1BRD4CREBBPEPHX1MEN1
SCHEMBL1055676 0.76 L3MBTL1 (0.57) L3MBTL1BRD4CREBBPEPHX1MEN1
SCHEMBL29374710 0.76 L3MBTL1 (0.57) L3MBTL1BRD4CREBBPEPHX1MEN1
SCHEMBL21259298 0.75 L3MBTL1 (0.49) L3MBTL1BRD4CREBBPEPHX1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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