SCHEMBL21612866

SCHEMBL21612866

CC(=O)Oc1ccc(B2OCCCCC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 3/20 0.36
CA2 P00918 2/20 0.36
CA1 P00915 1/20 0.36
LMNA P02545 3/20 0.36
ESR1 P03372 1/20 0.35
PGR P06401 1/20 0.35
CHRM2 P08172 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
AR P10275 1/20 0.35
CHRM1 P11229 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MAPT P10636 4/20 0.33
RAB9A P51151 3/20 0.33
POLB P06746 3/20 0.33
KMT2A Q03164 3/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 2/20 0.33

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
SCHEMBL21612867 0.88 CA1 (0.35) CA9CA2CA1
SCHEMBL23801191 0.82 HIF1A (0.41) HPGDHSD17B10ALDH1A1GLAKDM4E
SCHEMBL21612877 0.80 RIPK1 (0.33) ALDH1A1TP53
SCHEMBL311872 0.78 CA1 (0.55) CA9CA2CA1LMNAMAPT
SCHEMBL30188658 0.78 AAK1 (0.43) LMNARAB9AKMT2AMEN1NPC1
SCHEMBL15518178 0.77 LIPG (0.40) CA9CA2CA1
SCHEMBL21612887 0.76 P4HB (0.49) CA9CA2CA1ESR1PGR
SCHEMBL21612921 0.74 FFAR1 (0.34)
SCHEMBL15518375 0.74 LPL (0.40)
SCHEMBL21612879 0.74 RIPK1 (0.33)

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-2020009176-A1 AMIDE COMPOUND HAVING BET PROTEOLYSIS-INDUCING ACTION AND MEDICINAL APPLICATION THEREOF 田辺三菱製薬株式会社 2020-01-09 WO disclosed