SCHEMBL19650554

SCHEMBL19650554

CC(C)(C)OC(=O)N[C@H]1CC[C@H]2C[C@H]2C1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.58
KDM1A O60341 1/20 0.47
MAOB P27338 1/20 0.47
CTSK P43235 2/20 0.47
HSD11B1 P28845 3/20 0.45
CYP2C9 P11712 1/20 0.45
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 2/20 0.42
DRD2 P14416 2/20 0.41
EPHX1 P07099 1/20 0.41
EPHX2 P34913 1/20 0.40
JAK1 P23458 2/20 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
SCHEMBL15318147 0.93 BTK (0.57) BTKKDM1AMAOBCTSKHSD11B1
SCHEMBL16512852 0.92 BTK (0.54) BTKKDM1AMAOBCTSKHSD11B1
SCHEMBL16512576 0.92 BTK (0.54) BTKKDM1AMAOBCTSKHSD11B1
SCHEMBL16512578 0.92 BTK (0.54) BTKKDM1AMAOBCTSKHSD11B1
SCHEMBL16512545 0.91 BTK (0.52) BTKKDM1AMAOBCTSKHSD11B1
SCHEMBL16512560 0.91 BTK (0.52) BTKKDM1AMAOBCTSKHSD11B1
SCHEMBL16512823 0.90 BTK (0.63) BTKKDM1AMAOBCTSKHSD11B1
SCHEMBL16512824 0.90 BTK (0.63) BTKKDM1AMAOBCTSKHSD11B1
SCHEMBL26251007 0.89 BTK (0.56) BTKKDM1AMAOBCTSKHSD11B1
SCHEMBL16512547 0.85 BTK (0.48) BTKKDM1AMAOBCTSKHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576505-B1 CRYSTALLINE FORM OF A PLEUROMUTILIN NABRIVA THERAPEUTICS AG (AT) 2017-11-29 EP disclosed