SCHEMBL8632623

SCHEMBL8632623

CCOC(=O)C(O)(Cc1ccc2ccccc2n1)C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.49
CYSLTR1 Q9Y271 2/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
PRNP P04156 1/20 0.48
CYP1A2 P05177 2/20 0.47
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALOX5 P09917 1/20 0.43
GPBAR1 Q8TDU6 1/20 0.42
CYP2C9 P11712 1/20 0.41
HIF1A Q16665 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL27487179 0.82 ALDH1A1 (0.62) CYSLTR2CYSLTR1KMT2AMEN1PRNP
SCHEMBL8633553 0.79 CYP1A2 (0.50) CYSLTR2CYSLTR1PRNPCYP1A2ALDH1A1
SCHEMBL27461428 0.79 CYSLTR1 (0.41) CYSLTR2CYSLTR1KMT2AMEN1PRNP
SCHEMBL8631507 0.78 CYP1A2 (0.49) CYSLTR2CYSLTR1PRNPCYP1A2ALDH1A1
Lithium SCHEMBL8631517 0.78 CYP1A2 (0.49) CYSLTR2CYSLTR1PRNPCYP1A2ALDH1A1
SCHEMBL4728631 0.77 CYSLTR2 (0.60) CYSLTR2CYSLTR1KMT2AMEN1PRNP
Lithium Ion SCHEMBL8631509 0.77 CYP1A2 (0.48) CYSLTR2CYSLTR1PRNPCYP1A2ALDH1A1
SCHEMBL12722819 0.74 CYP1A2 (0.47) CYSLTR2CYSLTR1KMT2AMEN1CYP1A2
SCHEMBL13924681 0.74 CYP1A2 (0.50) CYSLTR2CYSLTR1CYP1A2ALDH1A1GPBAR1
SCHEMBL14352068 0.73 KMT2A (0.49) CYSLTR2CYSLTR1KMT2AMEN1PRNP

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