SCHEMBL8636353

SCHEMBL8636353

CCOC(=O)[C@](O)(CCC1CCCCN1C(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.42
KDM1A O60341 1/20 0.38
PDE8B O95263 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
FKBP1A P62942 2/20 0.37
HSD17B10 Q99714 1/20 0.37
CHEK2 O96017 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.33
PRMT5 O14744 1/20 0.33

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
SCHEMBL8633526 0.89 KDM1A (0.41) ATMKDM1APDE8BFKBP1AHSD17B10
SCHEMBL27411484 0.89 KDM1A (0.41) ATMKDM1APDE8BFKBP1AHSD17B10
SCHEMBL8634345 0.85 SMN1; SMN2 (0.42) ATMKDM1APDE8BKMT2AHSD17B10
SCHEMBL8634003 0.85 SMN1; SMN2 (0.42) ATMKDM1APDE8BKMT2AHSD17B10
SCHEMBL9203592 0.83 ATM (0.45) ATMKDM1APDE8BHSD17B10CHEK2
SCHEMBL27410708 0.80 KDM1A (0.44) ATMKDM1APDE8BMEN1KMT2A
SCHEMBL8631686 0.79 KDM4E (0.44) HPGD
SCHEMBL24739379 0.79 ATM (0.48) ATMKDM1APDE8BMEN1KMT2A
SCHEMBL29551182 0.79 ATM (0.48) ATMKDM1APDE8BMEN1KMT2A
SCHEMBL8632498 0.78 MEN1 (0.44) ATMKDM1AMEN1KMT2ACHEK2

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