SCHEMBL27176972

SCHEMBL27176972

CC(C)(C)OC(=O)CC(C=O)C=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CYP2D6 P10635 1/20 0.42
CTSK P43235 7/20 0.39
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
GAA P10253 2/20 0.31
DGAT1 O75907 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MLYCD O95822 4/20 0.30

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
SCHEMBL12914591 0.81 CYP2D6 (0.45) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL12450808 0.81 CYP2D6 (0.45) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7347959 0.81 CYP2D6 (0.45) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL644647 0.79 HDAC3 (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL646475 0.79 HDAC3 (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL29511396 0.78 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
Hydrochloric Acid SCHEMBL16237539 0.78 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL11043725 0.76 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL11976685 0.75 CTSK (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL17758950 0.75 CYP2D6 (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6

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-4340843-A1 1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE-BASED SLC16A3 INHIBITORS AND THEIR THERAPEUTIC USE CeMM - Forschungszentrum für Molekulare Medizin GmbH (AT) 2024-03-27 EP disclosed