SCHEMBL4778475

SCHEMBL4778475

CCOC(=O)CC(=O)C1CC(C)(C)CC(C)(C)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.47
GAA P10253 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
ALOX15 P16050 1/20 0.40
ALDH1A1 P00352 2/20 0.35
APLNR P35414 1/20 0.35
TRPA1 O75762 1/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.34
EPHX2 P34913 6/20 0.34
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL28719372 0.93 GAA (0.50) MGAMGAASIMGAM2ALOX15
SCHEMBL29333105 0.81 APLNR (0.46) ALDH1A1APLNRTSHR
SCHEMBL11072543 0.81 GAA (0.41) MGAMGAASIMGAM2ALOX15
SCHEMBL3527283 0.81 MGAM (0.48) MGAMGAASIMGAM2ALOX15
SCHEMBL1014646 0.77 GAA (0.58) MGAMGAASIMGAM2ALOX15
SCHEMBL4778443 0.77 MGAM (0.44) MGAMGAASIMGAM2ALOX15
SCHEMBL3526401 0.77 GAA (0.52) MGAMGAASIMGAM2ALOX15
SCHEMBL7062448 0.75 MGAM (0.40) MGAMGAASIMGAM2ALOX15
SCHEMBL4780671 0.74 MGAM (0.41) MGAMGAASIMGAM2ALOX15
SCHEMBL2005270 0.74 GAA (0.54) MGAMGAASIMGAM2ALOX15

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-2008009963-A2 PYRIMIDINE DERIVATIVES AS MODULATORS OF PARATHYROID HORMONE RECEPTORS JAMES BLACK FOUNDATION LIMITED (GB) 2008-01-24 WO disclosed