SCHEMBL6039670

SCHEMBL6039670

CC(C)(C)OC(=O)C1(O)CCCN1[C]=O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
USP2 O75604 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL3665848 0.81 NPSR1 (0.35) CYP4F2CYP4A11USP2
SCHEMBL1185969 0.77 CTSK (0.31) CTSK
SCHEMBL3668825 0.75
SCHEMBL8887387 0.74 CTSK (0.31) CTSKCYP4F2CYP4A11
SCHEMBL27378855 0.67 PPIA (0.38) CTSKCYP4F2CYP4A11USP2SMN1; SMN2
SCHEMBL4309286 0.67 GRIN2B (0.40) CTSKUSP2SMN1; SMN2
SCHEMBL4437296 0.67 GRIN2B (0.40) CTSKUSP2SMN1; SMN2
SCHEMBL692636 0.67 GRIN2B (0.40) CTSKUSP2SMN1; SMN2
SCHEMBL19281600 0.66 CYP4F2 (0.35) CTSKCYP4F2CYP4A11USP2SMN1; SMN2
SCHEMBL1268184 0.66 GRIN2B (0.41) CTSKUSP2SMN1; SMN2

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-2006038001-A1 AMINOPYRIMIDINE DERIVATIVES AS JNK INHIBITORS CELLTECH R & D LIMITED (GB) 2006-04-13 WO disclosed