SCHEMBL8629539

SCHEMBL8629539

COC(=O)C(O)(OC)C(=C=O)CN1C(=O)CSC1c1ccc(OC(C)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
ALDH1A1 P00352 4/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
GAA P10253 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HPGD P15428 3/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KCNA5 P22460 2/20 0.37
LMNA P02545 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL8629529 0.78 PTGS1 (0.57) PTGS1PTGS2ALDH1A1HTTNPSR1
SCHEMBL8633582 0.72 PTGS1 (0.62) PTGS1PTGS2ALDH1A1HTTNPSR1
SCHEMBL8629535 0.71 PTGS1 (0.40) PTGS1PTGS2ALDH1A1HTTNPSR1
SCHEMBL3546909 0.63 PTGS1 (0.58) PTGS1PTGS2ALDH1A1HTTNPSR1
SCHEMBL8632464 0.62 SMN1; SMN2 (0.47) PTGS1PTGS2KMT2AMEN1GAA
SCHEMBL5745406 0.60 PTGS1 (0.67) PTGS1PTGS2ALDH1A1HTTNPSR1
SCHEMBL5151736 0.60 PTGS1 (0.64) PTGS1PTGS2ALDH1A1HTTNPSR1
SCHEMBL16688494 0.59 PTGS2 (0.67) PTGS1PTGS2ALDH1A1HTTNPSR1
SCHEMBL19305954 0.58 MEN1 (0.81) ALDH1A1HTTNPSR1KMT2AMEN1
SCHEMBL5154879 0.57 KMT2A (0.65) PTGS1PTGS2ALDH1A1HTTNPSR1

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