SCHEMBL8632507

SCHEMBL8632507

COc1cc(C2SCC(=O)N2CCBr)cc(OC)c1O

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.59
GAA P10253 3/20 0.58
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PTGS1 P23219 1/20 0.52
PTGS2 P35354 1/20 0.52
KCNA5 P22460 1/20 0.47

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; SMN2GAAKDM4EMAPTMAPK1
SCHEMBL8633554 0.86 SMN1; SMN2 (0.52) SMN1; SMN2GAAKDM4EMAPTMAPK1
SCHEMBL8634977 0.83 KCNA5 (0.50) SMN1; SMN2GAAPTGS1PTGS2KCNA5
SCHEMBL27394357 0.81 SMN1; SMN2 (0.52) SMN1; SMN2GAAKDM4EMAPTMAPK1
SCHEMBL27411490 0.76 TUBB4A (0.44) SMN1; SMN2GAAKDM4EMAPTMAPK1
SCHEMBL8633557 0.76 PTGS1 (0.56) GAAPTGS1PTGS2
SCHEMBL8629755 0.76 KCNA5 (0.46) SMN1; SMN2GAAKDM4EMAPTMAPK1
SCHEMBL8629659 0.73 PTGS1 (0.42) PTGS1PTGS2
SCHEMBL8635567 0.73 PTGS1 (0.55) SMN1; SMN2MAPTPTGS1PTGS2
SCHEMBL8633582 0.72 PTGS1 (0.62) GAAKDM4EMAPTMAPK1TDP1

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 6 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
CN-1091741-A Tartronic acid and acetal ether thereof and O-ester DOMPE FARMACEUTICI SPA (IT) 1994-09-07 CN disclosed
WO-1994010127-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE' FARMACEUTICI S.P.A. (IT) 1994-05-11 WO disclosed