SCHEMBL8634003

SCHEMBL8634003

COC(=O)[C@@](O)(CCC1CCCN1C(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.41
ATM Q13315 2/20 0.39
KDM1A O60341 1/20 0.38
OPRD1 P41143 1/20 0.38
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 2/20 0.36
FPR3 P25089 1/20 0.36
FPR2 P25090 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
PDE8B O95263 1/20 0.36

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
SCHEMBL8634345 1.00 SMN1; SMN2 (0.42) SMN1; SMN2HSD17B10ATMKDM1AOPRD1
SCHEMBL27411484 0.96 KDM1A (0.41) SMN1; SMN2HSD17B10ATMKDM1AOPRD1
SCHEMBL8633526 0.96 KDM1A (0.41) SMN1; SMN2HSD17B10ATMKDM1AOPRD1
SCHEMBL8636353 0.85 ATM (0.42) SMN1; SMN2HSD17B10ATMKDM1AALDH1A1
SCHEMBL9203592 0.81 ATM (0.45) SMN1; SMN2HSD17B10ATMKDM1AOPRD1
SCHEMBL19014399 0.81 HSD17B10 (0.43) SMN1; SMN2HSD17B10ATMKDM1AOPRD1
SCHEMBL19014400 0.81 HSD17B10 (0.43) SMN1; SMN2HSD17B10ATMKDM1AOPRD1
SCHEMBL27407970 0.79 KDM4E (0.48) ALDH1A1
SCHEMBL8633625 0.79 KDM4E (0.48) ALDH1A1
SCHEMBL26796816 0.78 HSD17B10 (0.46) SMN1; SMN2HSD17B10ATMOPRD1NPC1

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