SCHEMBL19636686

SCHEMBL19636686

CC(COC(=O)C(C)(C)C)OCCC(C)(C)O

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.42
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL18970781 0.84
SCHEMBL22649517 0.84 CYP4F2 (0.34)
SCHEMBL27646333 0.80 PRKCA (0.48) PRKCAPOLBGAANPSR1ALDH1A1
SCHEMBL27625696 0.79 PRKCA (0.42) PRKCAALDH1A1
SCHEMBL27625810 0.78 PRKCA (0.47) PRKCAPOLBGAANPSR1ALDH1A1
SCHEMBL17693803 0.77 POLB (0.42) PRKCAPOLBGAANPSR1ALDH1A1
SCHEMBL1640996 0.75 PRKCA (0.53) PRKCA
SCHEMBL538492 0.75 PRKCA (0.53) PRKCA
SCHEMBL1426847 0.75 PRKCA (0.44) PRKCA
SCHEMBL685935 0.75 PRKCA (0.55) PRKCAPOLBGAANPSR1ALDH1A1

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-2017201347-A1 POLYNUCLEOTIDES ENCODING CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR FOR THE TREATMENT OF CYSTIC FIBROSIS MODERNATX, INC. (US) 2017-11-23 WO disclosed