SCHEMBL1828759

SCHEMBL1828759

COC(=O)[C@@H](C)OC(=O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.38
CA14 Q9ULX7 3/20 0.35
CA12 O43570 2/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
DGAT1 O75907 1/20 0.32
MMP8 P22894 1/20 0.32

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
SCHEMBL18651098 1.00 PRKCA (0.42) PRKCASMN1; SMN2CA14CA12CA1
SCHEMBL9862817 1.00 PRKCA (0.42) PRKCASMN1; SMN2CA14CA12CA1
SCHEMBL3757699 0.84 PRKCA (0.44) PRKCA
SCHEMBL13050551 0.82 PRKCA (0.42) PRKCA
SCHEMBL17728710 0.82 PRKCA (0.42) PRKCA
SCHEMBL16359714 0.82 PRKCA (0.42) PRKCA
SCHEMBL17728712 0.82 PRKCA (0.42) PRKCA
SCHEMBL18651090 0.81 PRKCA (0.39) PRKCA
SCHEMBL27437389 0.80 PRKCA (0.41) PRKCACA14CA12CA1CA2
SCHEMBL16684192 0.79 CA1 (0.36) PRKCASMN1; SMN2CA14CA12CA1

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-1647551-B1 OPTICALLY ACTIVE HALOHYDRIN DERIVATIVE AND PROCESS FOR PRODUCING OPTICALLY ACTIVE EPOXY ALCOHOL DERIVATIVE FROM THE SAME KANEKA CORP (JP) 2011-05-04 EP disclosed