SCHEMBL20007733

SCHEMBL20007733

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

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CTSK P43235 2/20 0.34
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
DGAT1 O75907 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 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
SCHEMBL13671542 1.00 CA1 (0.34) CA1CA2CA7CTSKLMNA
SCHEMBL27948182 0.77 LMNA (0.32) CA1CA2CA7LMNAKMT2A
SCHEMBL12065977 0.77 CA12 (0.36) CA1CA2CA7CTSKLMNA
SCHEMBL11892181 0.75 CA12 (0.32) CA1CA2CA7LMNAKMT2A
SCHEMBL11584303 0.72 CYP1A2 (0.42) LMNAKMT2AHDAC3HDAC1HDAC2
SCHEMBL8019614 0.72 HDAC3 (0.35) CA1CA2CA7CTSKHDAC3
SCHEMBL8019616 0.72 HDAC3 (0.35) CA1CA2CA7CTSKHDAC3
SCHEMBL8019623 0.68 HDAC3 (0.33) CTSKHDAC3HDAC1HDAC2HDAC8
SCHEMBL8019626 0.68 HDAC3 (0.33) CTSKHDAC3HDAC1HDAC2HDAC8
SCHEMBL19132665 0.67 DGAT1 (0.37) CA1CA2CA7CTSKLMNA

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-2982714-B1 POLYLACTIC ACID RESIN COMPOSITION SK CHEMICALS CO LTD (KR) 2018-03-28 EP disclosed