SCHEMBL8630445

SCHEMBL8630445

CCOC(=O)[C@](O)(CCC1CCCCN1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.38
SLC6A3 Q01959 4/20 0.38
SLC6A4 P31645 3/20 0.38
FDPS P14324 2/20 0.38
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 2/20 0.35
MITF O75030 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NLRP1 Q9C000 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
KCNN4 O15554 1/20 0.33
CYP2D6 P10635 2/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL8630448 1.00 SLC6A2 (0.38) SLC6A2SLC6A3SLC6A4FDPSKMT2A
SCHEMBL8630841 0.86 FDPS (0.39) SLC6A2SLC6A3SLC6A4FDPSKMT2A
SCHEMBL8633002 0.86 FDPS (0.39) SLC6A2SLC6A3SLC6A4FDPSKMT2A
SCHEMBL8630836 0.86 FDPS (0.39) SLC6A2SLC6A3SLC6A4FDPSKMT2A
SCHEMBL27534493 0.84 FDPS (0.46) SLC6A2SLC6A3SLC6A4FDPSKMT2A
SCHEMBL8630472 0.82 FDPS (0.34) FDPSKMT2AMEN1LMNATP53
SCHEMBL8636632 0.82 FDPS (0.34) FDPSKMT2AMEN1LMNATP53
SCHEMBL8630698 0.82 FDPS (0.34) FDPSKMT2AMEN1LMNATP53
SCHEMBL8634355 0.79 GNAI3 (0.35) SLC6A2SLC6A3SLC6A4KMT2AMEN1
SCHEMBL8634358 0.79 GNAI3 (0.35) SLC6A2SLC6A3SLC6A4KMT2AMEN1

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