SCHEMBL1457636

SCHEMBL1457636

CC(C)C(N)C(=O)OCOC(=O)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.38
SLC7A5 Q01650 1/20 0.37
BTN3A1 O00481 4/20 0.33
COMT P21964 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PSMB5 P28074 1/20 0.31
SLC15A1 P46059 1/20 0.31
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
DPP4 P27487 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
SCHEMBL1457638 1.00 PRKCA (0.38) PRKCASLC7A5BTN3A1COMTALDH1A1
SCHEMBL19235874 0.84 PRKCA (0.40) PRKCABTN3A1ALDH1A1POLBGAA
SCHEMBL14648399 0.84 PRKCA (0.40) PRKCABTN3A1ALDH1A1POLBGAA
Hydrochloric Acid SCHEMBL19209658 0.82 GRIN2D (0.39) PRKCABTN3A1ALDH1A1POLBGAA
SCHEMBL16017805 0.81 DPP4 (0.39) PRKCADPP4
SCHEMBL6840505 0.80 PRKCA (0.40) PRKCABTN3A1ALDH1A1POLBGAA
SCHEMBL19420430 0.79 SLC7A5 (0.42) SLC7A5COMTPSMB5SLC15A1DPP4
SCHEMBL10253729 0.79 PRKCA (0.42) PRKCABTN3A1ALDH1A1POLBGAA
SCHEMBL681950 0.78 PRKCA (0.46) PRKCABTN3A1ALDH1A1POLBGAA
SCHEMBL13577876 0.78 ALOX15 (0.41) SLC7A5COMTPSMB5DPP4

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
WO-2011038207-A1 PHOSPHORUS-CONTAINING THYROID HORMONE RECEPTOR AGONISTS AND METHODS OF USE METABASIS THERAPEUTICS, INC. (US) 2011-03-31 WO disclosed