SCHEMBL21145975

SCHEMBL21145975

CC(C)N1[C@@H]2COC[C@H]1CC(=O)C2

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL3408677 1.00 MAPK1 (0.42) MAPK1MEN1KMT2A
SCHEMBL23475183 1.00 MAPK1 (0.42) MAPK1MEN1KMT2A
SCHEMBL8717133 0.81 MAPK1 (0.37) MAPK1MEN1KMT2A
SCHEMBL26948154 0.80 MAPK1 (0.46) MAPK1MEN1KMT2A
SCHEMBL5433093 0.80 MAPK1 (0.58) MAPK1MEN1KMT2A
SCHEMBL1922253 0.80 MAPK1 (0.52) MAPK1MEN1KMT2A
SCHEMBL13715018 0.80 MAPK1 (0.58) MAPK1MEN1KMT2A
SCHEMBL24117892 0.79
SCHEMBL8719150 0.79 MAPK1 (0.38) MAPK1MEN1KMT2A
SCHEMBL16249758 0.78 TSHR (0.35)

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
WO-2019118358-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS VenatoRx Pharmaceuticals, Inc. (US) 2019-06-20 WO disclosed