SCHEMBL21757564

SCHEMBL21757564

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

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
HDAC6 Q9UBN7 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
ELANE P08246 1/20 0.31
CTSK P43235 2/20 0.30
CYP2D6 P10635 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
SCHEMBL11986237 0.84 CA1 (0.33) MAPK1CA1CA2CA7HDAC6
SCHEMBL11986238 0.82 CA1 (0.33) MAPK1CA1CA2CA7HDAC6
SCHEMBL14593927 0.81 CA1 (0.36) CA1CA2CA7HDAC6HDAC1
SCHEMBL11986239 0.80 CA1 (0.33) MAPK1CA1CA2CA7HDAC6
SCHEMBL2982727 0.79 CA1 (0.35) CA1CA2CA7HDAC6HDAC1
SCHEMBL13104622 0.79 CA1 (0.35) CA1CA2CA7HDAC6HDAC1
SCHEMBL2984787 0.79 CA1 (0.35) CA1CA2CA7HDAC6HDAC1
SCHEMBL3256468 0.79 MAPK1 (0.48) MAPK1
SCHEMBL66031 0.79 MAPK1 (0.48) MAPK1
SCHEMBL19106181 0.78 HDAC6 (0.30) CA1CA2CA7HDAC6

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
US-11180609-B2 Sustainable polymer compositions and methods SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2021-11-23 US disclosed
US-20200062900-A1 SUSTAINABLE POLYMER COMPOSITIONS AND METHODS SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2020-02-27 US disclosed