SCHEMBL11104239

SCHEMBL11104239

CC(=O)CC(C)=O.CC(=O)CC(C)=O.CC(C)O[Ti](=O)OC(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTT P42858 1/20 0.31
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.30
KDM6B O15054 1/20 0.30
KDM5C P41229 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30
PHF8 Q9UPP1 1/20 0.30
KDM2A Q9Y2K7 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
SCHEMBL11615727 0.85 MGAM (0.42) MGAMGAASIMGAM2TSHR
SCHEMBL2879897 0.82 GAA (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL2175390 0.79
SCHEMBL1072380 0.77 MCL1 (0.33)
SCHEMBL28366782 0.74 MGAM (0.37) MGAMGAASIMGAM2TSHR
SCHEMBL21066642 0.73 MGAM (0.65) MGAMGAASIMGAM2TSHR
SCHEMBL7581768 0.70 MGAM (0.45) MGAMGAASIMGAM2TSHR
SCHEMBL5998622 0.70 MGAM (0.45) MGAMGAASIMGAM2TSHR
Isopropyl Alcohol SCHEMBL8457735 0.70 ALDH1A1 (0.47) MGAMGAASIMGAM2TSHR
SCHEMBL10389469 0.69 MGAM (0.56) MGAMGAASIMGAM2TSHR

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-0122312-A1 Polytitanium chelates KAY-FRIES, Inc. (US) 1984-10-24 EP disclosed