SCHEMBL8634977

SCHEMBL8634977

Cc1cc(C2SCC(=O)N2CCBr)cc(C)c1O

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.50
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL8632507 0.83 SMN1; SMN2 (0.59) KCNA5PTGS1PTGS2GAASMN1; SMN2
SCHEMBL27537429 0.78 KCNA5 (0.47) KCNA5PTGS1PTGS2GAASMN1; SMN2
SCHEMBL8632685 0.76 SMN1; SMN2 (0.57) KCNA5PTGS1PTGS2GAASMN1; SMN2
SCHEMBL8635567 0.76 PTGS1 (0.55) PTGS1PTGS2SMN1; SMN2
SCHEMBL8633554 0.74 SMN1; SMN2 (0.52) KCNA5PTGS1PTGS2GAASMN1; SMN2
SCHEMBL27461427 0.74 HTR7 (0.37) KCNA5
SCHEMBL8629659 0.73 PTGS1 (0.42) PTGS1PTGS2
SCHEMBL8633582 0.73 PTGS1 (0.62) KCNA5PTGS1PTGS2GAA
SCHEMBL8633070 0.68 PTGS1 (0.52) PTGS1PTGS2
SCHEMBL19306353 0.67 HTR7 (0.80)

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