SCHEMBL28073206

SCHEMBL28073206

CC(C)(C)OC(=O)NC1CCC(N(C2CC2)C2CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.53
KDM1A O60341 1/20 0.49
MAOB P27338 1/20 0.49
CTSK P43235 2/20 0.49
GAA P10253 2/20 0.47
EPHX1 P07099 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
DRD2 P14416 3/20 0.43
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
EPHX2 P34913 1/20 0.42
CYP2C9 P11712 1/20 0.41
HSD11B1 P28845 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL28621935 1.00 BTK (0.53) BTKKDM1AMAOBCTSKGAA
SCHEMBL3702152 0.90 BTK (0.61) BTKKDM1AMAOBCTSKGAA
SCHEMBL1406894 0.90 BTK (0.61) BTKKDM1AMAOBCTSKGAA
SCHEMBL3702157 0.90 BTK (0.61) BTKKDM1AMAOBCTSKGAA
SCHEMBL10343938 0.90 BTK (0.61) BTKKDM1AMAOBCTSKGAA
SCHEMBL4590525 0.89 BTK (0.50) BTKKDM1AMAOBCTSKGAA
SCHEMBL626874 0.89 BTK (0.50) BTKKDM1AMAOBCTSKGAA
SCHEMBL22200605 0.89 BTK (0.50) BTKKDM1AMAOBCTSKGAA
SCHEMBL626875 0.89 BTK (0.50) BTKKDM1AMAOBCTSKGAA
Methyl Alcohol SCHEMBL28082230 0.88 BTK (0.59) BTKKDM1AMAOBCTSKGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109897038-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维爱尔兰无限公司 2022-04-05 CN disclosed
CN-108175749-B Melt-extruded solid dispersions containing apoptosis-inducing agents 艾伯维爱尔兰无限公司 2021-09-10 CN disclosed
CN-109966294-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维爱尔兰无限公司 2019-07-05 CN disclosed
CN-109897038-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维爱尔兰无限公司 2019-06-18 CN disclosed
CN-108175749-A The solid dispersions of melt extrusion containing cell death inducer 艾伯维爱尔兰无限公司 2018-06-19 CN disclosed
CN-103282025-B Melt-extruded solid dispersions containing apoptosis-inducing agents 艾伯维爱尔兰无限公司 2018-01-02 CN disclosed
CN-104876927-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维爱尔兰无限公司 2017-06-23 CN disclosed
CN-103153993-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (BS) 2016-06-01 CN disclosed