SCHEMBL4778443

SCHEMBL4778443

CCOC(=O)CC(=O)CC1CC(C)(C)CC(C)(C)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
ALOX15 P16050 1/20 0.38
EPHX2 P34913 10/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.33
TRPA1 O75762 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL7062448 0.86 MGAM (0.40) MGAMGAASIMGAM2ALOX15
SCHEMBL26696634 0.82 MGAM (0.45) MGAMGAASIMGAM2ALOX15
SCHEMBL15798547 0.81 GAA (0.44) MGAMGAASIMGAM2ALOX15
SCHEMBL1015154 0.79 GAA (0.54) MGAMGAASIMGAM2ALOX15
SCHEMBL4780671 0.78 MGAM (0.41) MGAMGAASIMGAM2ALOX15
SCHEMBL4778475 0.77 MGAM (0.47) MGAMGAASIMGAM2ALOX15
SCHEMBL3109485 0.76 GAA (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL2555598 0.76 MGAM (0.50) MGAMGAASIMGAM2ALOX15
SCHEMBL24696141 0.75 GAA (0.48) MGAMGAASIMGAM2ALOX15
SCHEMBL6160915 0.75 MGAM (0.48) MGAMGAASIMGAM2EPHX2

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