SCHEMBL8629659

SCHEMBL8629659

CC(=O)Oc1c(C(C)(C)C)cc(C2SCC(=O)N2CCBr)cc1C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42

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
SCHEMBL8629755 0.85 KCNA5 (0.46) PTGS1PTGS2
SCHEMBL8635019 0.83 PTGS1 (0.40) PTGS1PTGS2
SCHEMBL8633554 0.83 SMN1; SMN2 (0.52) PTGS1PTGS2
SCHEMBL9287996 0.80 PTGS1 (0.37) PTGS1PTGS2
SCHEMBL8633582 0.78 PTGS1 (0.62) PTGS1PTGS2
SCHEMBL8632685 0.74 SMN1; SMN2 (0.57) PTGS1PTGS2
SCHEMBL8634977 0.73 KCNA5 (0.50) PTGS1PTGS2
SCHEMBL8632507 0.73 SMN1; SMN2 (0.59) PTGS1PTGS2
SCHEMBL9287999 0.73
SCHEMBL8112480 0.72

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