SCHEMBL8633149

SCHEMBL8633149

CCOC(=O)C(O)(CCC(N)C(=O)OC(C)(C)C)C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
LTA4H P09960 1/20 0.34
MMP8 P22894 1/20 0.34
NOS1 P29475 2/20 0.34
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PKM P14618 3/20 0.33
CYP1A2 P05177 2/20 0.33
ABCB11 O95342 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
HTR2A P28223 1/20 0.33
PMP22 Q01453 1/20 0.33
PPARA Q07869 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 2/20 0.32
ALOX15 P16050 1/20 0.31

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
SCHEMBL8637184 0.85 DGAT1 (0.40) LTA4HNOS1NOS3NOS2MEN1
SCHEMBL27389969 0.83 LTA4H (0.38) LTA4HNOS1NOS3NOS2MEN1
SCHEMBL8633782 0.82 LTA4H (0.38) LTA4HNOS1NOS3NOS2MEN1
SCHEMBL2611904 0.81 NOS1 (0.40) LTA4HNOS1NOS3NOS2MEN1
SCHEMBL8633725 0.80 LTA4H (0.37) LTA4HNOS1NOS3NOS2MEN1
SCHEMBL8331038 0.79 CYP4F2 (0.33) CYP4F2CYP4A11LTA4HTSHR
SCHEMBL3294154 0.78 NOS1 (0.42) LTA4HNOS1NOS3NOS2MEN1
SCHEMBL8800131 0.78 CYP4F2 (0.38) CYP4F2CYP4A11LTA4HMEN1KMT2A
SCHEMBL67349 0.77 NOS1 (0.40) LTA4HNOS1NOS3NOS2MEN1
SCHEMBL17449764 0.77 NOS1 (0.40) LTA4HNOS1NOS3NOS2MEN1

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