SCHEMBL8629529

SCHEMBL8629529

COC(=O)C(O)(CCN1C(=O)CSC1c1ccc(OC(C)=O)cc1)C(=O)OC

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.57
PTGS2 P35354 1/20 0.57
GAA P10253 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 2/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
KCNA5 P22460 2/20 0.44
LMNA P02545 3/20 0.42
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ATM Q13315 1/20 0.41

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
SCHEMBL8632464 0.82 SMN1; SMN2 (0.47) PTGS1PTGS2GAAL3MBTL1KDM4E
SCHEMBL8633582 0.81 PTGS1 (0.62) PTGS1PTGS2GAAL3MBTL1KDM4E
SCHEMBL8629539 0.78 PTGS1 (0.46) PTGS1PTGS2GAAL3MBTL1KDM4E
SCHEMBL8629535 0.73 PTGS1 (0.40) PTGS1PTGS2GAAL3MBTL1KDM4E
SCHEMBL9287515 0.71 SMN1; SMN2 (0.44) PTGS1PTGS2GAAL3MBTL1KDM4E
SCHEMBL5745406 0.68 PTGS1 (0.67) PTGS1PTGS2GAAL3MBTL1KDM4E
SCHEMBL5747233 0.67 PTGS1 (0.64) PTGS1PTGS2GAAL3MBTL1KDM4E
SCHEMBL5151736 0.66 PTGS1 (0.64) PTGS1PTGS2GAAL3MBTL1KDM4E
SCHEMBL5155020 0.65 PTGS1 (0.74) PTGS1PTGS2GAAL3MBTL1KDM4E
SCHEMBL8633554 0.64 SMN1; SMN2 (0.52) PTGS1PTGS2GAAL3MBTL1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5773465-A Tartronic acids, their acetalic ethers and o-esters DOMPE FARMACEUTICI S.P.A. (IT) 1998-06-30 US disclosed
US-5656656-A Tartronic acids, their acetalic ethers and O-esters DOMPE FARMACEUTICI S.P.A. (IT) 1997-08-12 US disclosed
EP-0667850-B1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE FARMACEUTICI SPA (IT) 1997-05-28 EP disclosed
WO-1994010127-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE' FARMACEUTICI S.P.A. (IT) 1994-05-11 WO disclosed