SCHEMBL21242765

SCHEMBL21242765

CCCCCC[C@@H](CCC)C(=O)OCOC(=O)[C@@H](CCC)CCCCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.50
ZDHHC7 Q9NXF8 1/20 0.47
MAPT P10636 1/20 0.47
CA1 P00915 1/20 0.46
GRIK1 P39086 2/20 0.44
GRIK2 Q13002 2/20 0.44
GPR84 Q9NQS5 7/20 0.44
FFAR1 O14842 1/20 0.44
LCK P06239 1/20 0.42
PPARD Q03181 1/20 0.42
ZDHHC20 Q5W0Z9 1/20 0.42
ZDHHC2 Q9UIJ5 1/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
CPB2 Q96IY4 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42

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
SCHEMBL13933068 0.88 CPB2 (0.54) CA2ZDHHC7MAPTCA1GRIK1
SCHEMBL3678972 0.88 CPB2 (0.54) CA2ZDHHC7MAPTCA1GRIK1
SCHEMBL3681872 0.88 CPB2 (0.54) CA2ZDHHC7MAPTCA1GRIK1
SCHEMBL28524921 0.88 CPB2 (0.54) CA2ZDHHC7MAPTCA1GRIK1
SCHEMBL9081173 0.88 CPB2 (0.54) CA2ZDHHC7MAPTCA1GRIK1
SCHEMBL29151461 0.88 CPB2 (0.54) CA2ZDHHC7MAPTCA1GRIK1
SCHEMBL28596178 0.88 CPB2 (0.54) CA2ZDHHC7MAPTCA1GRIK1
SCHEMBL11866404 0.87 CA2 (0.57) CA2ZDHHC7MAPTCA1GRIK1
SCHEMBL9624567 0.87 HDAC1 (0.52) CA2CA1GRIK1GRIK2HDAC1
SCHEMBL7870371 0.87 CA2 (0.40) CA2ZDHHC7MAPTCA1GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3520795-B1 COMPOSITION COMPRISING COMBINATION OF TRH ANALOG WITH ARUNDIC ACID, AND PHARMACEUTICALLY ACCEPTABLE SALT OF ARUNDIC ACID BRIVENTION PHARMACEUTICAL SHANGHAI INC (CN) 2023-06-14 EP disclosed
EP-3520795-A1 COMPOSITION COMPRISING COMBINATION OF TRH ANALOG WITH ARUNDIC ACID, AND PHARMACEUTICALLY ACCEPTABLE SALT OF ARUNDIC ACID Brivention Pharmaceutical (Shanghai) Inc. (CN) 2019-08-07 EP disclosed