SCHEMBL8633554

SCHEMBL8633554

COc1cc(C2SCC(=O)N2CCBr)cc(OC)c1OC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.52
GAA P10253 3/20 0.49
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45
TUBA3E Q6PEY2 1/20 0.45
TUBA1A Q71U36 1/20 0.45

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
SCHEMBL8632685 0.89 SMN1; SMN2 (0.57) SMN1; SMN2GAAPTGS1PTGS2KDM4E
SCHEMBL8629755 0.86 KCNA5 (0.46) SMN1; SMN2GAAPTGS1PTGS2KDM4E
SCHEMBL8632507 0.86 SMN1; SMN2 (0.59) SMN1; SMN2GAAPTGS1PTGS2KDM4E
SCHEMBL8629659 0.83 PTGS1 (0.42) PTGS1PTGS2
SCHEMBL8632464 0.83 SMN1; SMN2 (0.47) SMN1; SMN2GAAPTGS1PTGS2KDM4E
SCHEMBL9287515 0.80 SMN1; SMN2 (0.44) SMN1; SMN2GAAPTGS1PTGS2KDM4E
SCHEMBL8633582 0.79 PTGS1 (0.62) GAAPTGS1PTGS2KDM4EMAPT
SCHEMBL8634977 0.74 KCNA5 (0.50) SMN1; SMN2GAAPTGS1PTGS2KCNA5
SCHEMBL9287517 0.73 TUBB (0.38) SMN1; SMN2GAAPTGS1PTGS2KDM4E
SCHEMBL8631462 0.71 KCNA5 (0.43) SMN1; SMN2GAAPTGS1PTGS2KDM4E

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 5 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
EP-0667850-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS. DOMPE FARMACEUTICI SPA (IT) 1995-08-23 EP disclosed
WO-1994010127-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE' FARMACEUTICI S.P.A. (IT) 1994-05-11 WO disclosed