SCHEMBL8633579

SCHEMBL8633579

CCOC(=O)C(O)(CCc1ccccn1)C(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.51
LMNA P02545 2/20 0.46
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
HIF1A Q16665 1/20 0.44
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
TRPM8 Q7Z2W7 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CYP2C19 P33261 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
SCHEMBL8630652 0.85 CYP1A2 (0.54) CYP1A2LMNAKDM4EALDH1A1TDP1
SCHEMBL21025180 0.81 CYP1A2 (0.53) CYP1A2LMNAKDM4EALDH1A1HIF1A
SCHEMBL27390752 0.79 CYP1A2 (0.50) CYP1A2LMNAKDM4EALDH1A1MAPT
SCHEMBL27461429 0.79 CYP1A2 (0.55) CYP1A2LMNAALDH1A1TDP1SMN1; SMN2
SCHEMBL8629786 0.78 KDM4E (0.45) CYP1A2LMNAKDM4EALDH1A1MAPT
SCHEMBL5140898 0.78 CYP1A2 (0.48) CYP1A2LMNAKDM4EALDH1A1TRPM8
SCHEMBL5862781 0.78 ALDH1A1 (0.47) CYP1A2LMNAKDM4EALDH1A1MAPT
SCHEMBL4341122 0.76 LMNA (0.57) CYP1A2LMNAKDM4EALDH1A1HIF1A
SCHEMBL7810409 0.75 ALDH1A1 (0.45) LMNAKDM4EALDH1A1TRPM8SMN1; SMN2
SCHEMBL8783322 0.75 NAMPT (0.45) CYP1A2LMNAALDH1A1MAPTSMN1; SMN2

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 4 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
WO-1994010127-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE' FARMACEUTICI S.P.A. (IT) 1994-05-11 WO disclosed