SCHEMBL4780671

SCHEMBL4780671

CCOC(=O)CC(=O)COC1CC(C)(C)CC(C)(C)C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
ALOX15 P16050 1/20 0.36
ALDH1A1 P00352 2/20 0.35
EPHX2 P34913 10/20 0.34
TSHR P16473 2/20 0.33
TRPA1 O75762 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL31206650 0.82 GAA (0.52) MGAMGAASIMGAM2ALOX15
SCHEMBL4778443 0.78 MGAM (0.44) MGAMGAASIMGAM2ALOX15
SCHEMBL7903603 0.78 MGAM (0.47) MGAMGAASIMGAM2ALOX15
SCHEMBL4779353 0.76 MGAM (0.45) MGAMGAASIMGAM2ALDH1A1
SCHEMBL6110390 0.76 MGAM (0.45) MGAMGAASIMGAM2ALDH1A1
SCHEMBL4778475 0.74 MGAM (0.47) MGAMGAASIMGAM2ALOX15
SCHEMBL7892532 0.74 MGAM (0.42) MGAMGAASIMGAM2ALDH1A1
SCHEMBL18334523 0.73 GAA (0.41) MGAMGAASIMGAM2ALOX15
SCHEMBL10742501 0.73 GAA (0.41) MGAMGAASIMGAM2ALOX15
Cyclohexanol SCHEMBL4410504 0.72 MGAM (0.40) MGAMGAASIMGAM2ALDH1A1

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