SCHEMBL8633582

SCHEMBL8633582

CC(=O)Oc1ccc(C2SCC(=O)N2CCBr)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.62
PTGS2 P35354 1/20 0.62
GAA P10253 2/20 0.52
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KCNA5 P22460 1/20 0.47
LMNA P02545 1/20 0.45
HPGD P15428 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
SCHEMBL8629529 0.81 PTGS1 (0.57) PTGS1PTGS2GAAKDM4EMAPT
SCHEMBL8629659 0.78 PTGS1 (0.42) PTGS1PTGS2
SCHEMBL8632507 0.72 SMN1; SMN2 (0.59) PTGS1PTGS2GAAKDM4EMAPT
SCHEMBL8629539 0.72 PTGS1 (0.46) PTGS1PTGS2GAAKDM4EMAPT
SCHEMBL8632685 0.71 SMN1; SMN2 (0.57) PTGS1PTGS2GAAKDM4EMAPT
SCHEMBL8633070 0.70 PTGS1 (0.52) PTGS1PTGS2MAPTKMT2AMEN1
SCHEMBL16209660 0.69 KMT2A (0.78) PTGS1PTGS2GAAKDM4EMAPT
SCHEMBL8444032 0.69 PTGS1 (0.65) PTGS1PTGS2MAPTKMT2AMEN1
SCHEMBL16688494 0.66 PTGS2 (0.67) PTGS1PTGS2GAAKDM4EMAPT
SCHEMBL13799155 0.66 LMNA (0.50) GAAKDM4EMAPTMAPK1KMT2A

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