SCHEMBL11053349

SCHEMBL11053349

C[C@@H](CCC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.44
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CTSK P43235 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
APP P05067 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
MLYCD O95822 7/20 0.32
STING1 Q86WV6 1/20 0.31

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
SCHEMBL23727898 0.91 CYP2D6 (0.44) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL23727482 0.89 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL27465946 0.88 CYP2D6 (0.39) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL18969666 0.84 CYP2D6 (0.44) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL13804167 0.84 CYP2D6 (0.37) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL17344466 0.84 TSHR (0.38) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL5992371 0.82 MAPT (0.42) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL6183615 0.82 CYP2D6 (0.36) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL7411881 0.82 CYP2D6 (0.36) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL27291946 0.82 CYP2D6 (0.36) CYP2D6HDAC3HDAC1HDAC2HDAC8

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-0153689-A2 Prostaglandin intermediates F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1985-09-04 EP disclosed