SCHEMBL471719

SCHEMBL471719

CC(C)(C)OC(=O)N[C@@H]1CC=CCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.49
CTSK P43235 2/20 0.46
NFKB1 P19838 3/20 0.43
NFKB2 Q00653 3/20 0.43
RELA Q04206 3/20 0.43
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43
EPHX2 P34913 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 2/20 0.41
DRD2 P14416 2/20 0.40
EPHX1 P07099 1/20 0.40
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
CYP2C9 P11712 1/20 0.39
HSD11B1 P28845 1/20 0.39

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
SCHEMBL508784 1.00 BTK (0.49) BTKCTSKNFKB1NFKB2RELA
SCHEMBL471720 1.00 BTK (0.49) BTKCTSKNFKB1NFKB2RELA
SCHEMBL21617625 0.93 BTK (0.43) BTKCTSKNFKB1NFKB2RELA
SCHEMBL470791 0.91 BTK (0.53) BTKCTSKNFKB1NFKB2RELA
SCHEMBL458573 0.88 BTK (0.51) BTKCTSKNFKB1NFKB2RELA
SCHEMBL18498476 0.86 BTK (0.51) BTKCTSKNFKB1NFKB2RELA
SCHEMBL28110628 0.82 MAPT (0.47) KMT2AEPHX1
SCHEMBL1498382 0.81 BTK (0.53) BTKCTSKNFKB1NFKB2RELA
SCHEMBL25223172 0.79 BTK (0.55) BTKCTSKNFKB1NFKB2RELA
SCHEMBL28611976 0.79 BTK (0.55) BTKCTSKNFKB1NFKB2RELA

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-111170911-A Pleuromutilin compounds for treating bacterial infectious diseases 安帝康(无锡)生物科技有限公司 2020-05-19 CN disclosed
EP-2576505-A1 PROCESS FOR THE PREPARATION OF PLEUROMUTILINS Nabriva Therapeutics AG (AT) 2013-04-10 EP disclosed
EP-2399904-A1 Process for the preparation of pleuromutilins Nabriva Therapeutics AG (AT) 2011-12-28 EP disclosed
WO-2011146954-A1 PROCESS FOR THE PREPARATION OF PLEUROMUTILINS NABRIVA THERAPEUTICS AG (AT) 2011-12-01 WO disclosed
EP-2390245-A1 Enantiomerically pure amines Nabriva Therapeutics AG (AT) 2011-11-30 EP disclosed