SCHEMBL8633126

SCHEMBL8633126

O=C(O)C(Cc1ccc2ccccc2n1)(OC1CCCCO1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 15/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HTT P42858 1/20 0.43
CYSLTR2 Q9NS75 2/20 0.41
CYSLTR1 Q9Y271 2/20 0.41
GPBAR1 Q8TDU6 1/20 0.40
KDM4C Q9H3R0 1/20 0.39

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
SCHEMBL8634342 0.86 CYSLTR2 (0.43) ALOX5HDAC6HTTCYSLTR2CYSLTR1
SCHEMBL8633571 0.78 MEN1 (0.41)
Lithium Ion SCHEMBL8633570 0.69 MEN1 (0.39)
SCHEMBL8633553 0.68 CYP1A2 (0.50) CYSLTR2CYSLTR1GPBAR1
SCHEMBL10549182 0.67 CYSLTR1 (0.57) ALOX5HDAC6CYSLTR2CYSLTR1GPBAR1
SCHEMBL8631507 0.67 CYP1A2 (0.49) CYSLTR2CYSLTR1GPBAR1
Lithium SCHEMBL8631517 0.67 CYP1A2 (0.49) CYSLTR2CYSLTR1GPBAR1
SCHEMBL8633596 0.67 ALDH1A1 (0.44)
SCHEMBL8827854 0.66 ALOX5 (0.60) ALOX5HDAC6CYSLTR2CYSLTR1GPBAR1
SCHEMBL1423624 0.66 PDE10A (0.50) ALOX5HDAC6CYSLTR2CYSLTR1

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