SCHEMBL20170874

SCHEMBL20170874

CCCCNC1C2CCC(=O)C[C@]23CC1(C)c1c(Br)cc(OC)c(OC(C)=O)c13

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
NR3C1 P04150 4/20 0.32
PGR P06401 3/20 0.32
AR P10275 3/20 0.32

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
SCHEMBL20170609 0.89 NR3C1 (0.33) GAANR3C1PGRAR
SCHEMBL20170664 0.88 GAA (0.36) MEN1GAAKMT2A
SCHEMBL20170666 0.75 GAA (0.37) MEN1GAAKMT2ANR3C1PGR
SCHEMBL20170756 0.75 TRPV1 (0.34) ALOX5GAA
SCHEMBL20170821 0.74 GAA (0.36) GAA
SCHEMBL20170707 0.66 GAA (0.35) MEN1GAAKMT2A
SCHEMBL12646334 0.66 OPRM1 (0.48) GAA
SCHEMBL20170718 0.64 GAA (0.36) GAA
SCHEMBL20170851 0.63 GAA (0.34) GAA
SCHEMBL12945025 0.61 GAA (0.38) MEN1GAAKMT2A

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-2453895-B1 (+) - MORPHINANS AS ANTAGONISTS OF TOLL-LIKE RECEPTOR 9 AND THERAPEUTIC USES THEREOF MALLINCKRODT LLC (US) 2018-05-23 EP disclosed