SCHEMBL19628874

SCHEMBL19628874

CCC(OC(=O)C(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.42
DGAT1 O75907 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
CTSS P25774 1/20 0.31
CTSK P43235 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
SCHEMBL21346216 0.82 PRKCA (0.43) PRKCA
SCHEMBL28764413 0.82 PRKCA (0.43) PRKCA
SCHEMBL29045276 0.78 CTSS (0.37) DGAT1CTSSCTSK
SCHEMBL1863565 0.78 CTSS (0.33) DGAT1CTSSCTSK
SCHEMBL9594713 0.78 NOS1 (0.34) DGAT1CTSSCTSK
SCHEMBL22984498 0.78 PRKCA (0.41) PRKCA
SCHEMBL18668843 0.78 PRKCA (0.41) PRKCAHDAC1HDAC2
SCHEMBL27437389 0.74 PRKCA (0.41) PRKCADGAT1HDAC3HDAC1HDAC2
SCHEMBL2992403 0.73 CTSS (0.34) CTSSCTSK
SCHEMBL12527313 0.72 TDP1 (0.33) CTSSCTSK

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
US-20170335059-A1 FUNCTIONAL POLYMERS THE UNIVERSITY OF AKRON 2017-11-23 US disclosed