SCHEMBL8629535

SCHEMBL8629535

COC(=O)C(O)(CC(C=O)N1C(=O)CSC1c1ccc(OC(C)=O)cc1)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
KMT2A Q03164 4/20 0.37
HTT P42858 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 3/20 0.37
GAA P10253 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HPGD P15428 1/20 0.35
ATM Q13315 1/20 0.35
MAPT P10636 2/20 0.35
XBP1 P17861 1/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.34
HTR7 P34969 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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 0.73 PTGS1 (0.57) PTGS1PTGS2KMT2AHTTNPSR1
SCHEMBL8629539 0.71 PTGS1 (0.46) PTGS1PTGS2KMT2AHTTNPSR1
SCHEMBL8633582 0.67 PTGS1 (0.62) PTGS1PTGS2KMT2AHTTNPSR1
SCHEMBL9287517 0.66 TUBB (0.38) PTGS1PTGS2KMT2AALDH1A1MEN1
SCHEMBL5745404 0.63 PTGS2 (0.53) PTGS1PTGS2KMT2AHTTNPSR1
SCHEMBL8632464 0.60 SMN1; SMN2 (0.47) PTGS1PTGS2KMT2AMEN1GAA
SCHEMBL5747163 0.59 HTT (0.52) KMT2AHTTNPSR1ALDH1A1MEN1
SCHEMBL5745406 0.58 PTGS1 (0.67) PTGS1PTGS2KMT2AHTTNPSR1
SCHEMBL327430 0.57 GLA (0.51) KMT2AALDH1A1MEN1GAASMN1; SMN2
SCHEMBL12005560 0.55 MDM2 (0.45) PTGS1PTGS2KMT2ANPSR1MEN1

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