SCHEMBL8633557

SCHEMBL8633557

O=C1CSC(c2ccc(O)cc2)N1CCBr

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.56
PTGS2 P35354 1/20 0.56
GAA P10253 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 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
SCHEMBL8635567 0.85 PTGS1 (0.55) PTGS1PTGS2MEN1KMT2ALMNA
SCHEMBL8633582 0.81 PTGS1 (0.62) PTGS1PTGS2GAAMEN1KMT2A
SCHEMBL8634977 0.79 KCNA5 (0.50) PTGS1PTGS2GAA
SCHEMBL8633070 0.77 PTGS1 (0.52) PTGS1PTGS2MEN1KMT2A
SCHEMBL8632507 0.76 SMN1; SMN2 (0.59) PTGS1PTGS2GAA
SCHEMBL8444032 0.74 PTGS1 (0.65) PTGS1PTGS2MEN1KMT2ALMNA
SCHEMBL8632685 0.71 SMN1; SMN2 (0.57) PTGS1PTGS2GAAMEN1KMT2A
SCHEMBL8633554 0.70 SMN1; SMN2 (0.52) PTGS1PTGS2GAA
SCHEMBL8629659 0.69 PTGS1 (0.42) PTGS1PTGS2
SCHEMBL24158208 0.69 GAA (0.72) GAA

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