SCHEMBL7757654

SCHEMBL7757654

CC(=O)OCC(OC(C)=O)C(CO)OC(C)=O

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.64
PRKCA P17252 4/20 0.38
ABCB1 P08183 1/20 0.38
PGD P52209 1/20 0.38
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
TRPV1 Q8NER1 1/20 0.35
USP2 O75604 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL7150206 0.91 TDP1 (0.75) TDP1ABCB1PGDLMNAALDH1A1
SCHEMBL8723281 0.91 TDP1 (0.75) TDP1ABCB1PGDLMNAALDH1A1
SCHEMBL12846719 0.91 TDP1 (0.75) TDP1ABCB1PGDLMNAALDH1A1
SCHEMBL16627355 0.86 TDP1 (0.75) TDP1PRKCAABCB1PGDLMNA
SCHEMBL813363 0.86 TDP1 (0.75) TDP1PRKCAABCB1PGDLMNA
SCHEMBL16312958 0.86 TDP1 (0.81) TDP1PRKCAABCB1PGDLMNA
SCHEMBL9426447 0.84 TDP1 (0.67) TDP1ABCB1PGDLMNAALDH1A1
SCHEMBL8447422 0.84 TDP1 (0.67) TDP1ABCB1PGDLMNAALDH1A1
SCHEMBL3832133 0.83 TDP1 (0.55) TDP1PRKCAABCB1PGDLMNA
SCHEMBL7218077 0.83 TDP1 (0.64) TDP1ABCB1PGDLMNAALDH1A1

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
EP-0639586-B1 Phosphonic acid derivatives, process for their preparation and pharmaceutical compositions comprising them ADIR (FR) 2001-03-21 EP disclosed
US-5608045-A DISODIUM SALT BY POT REACTING RHAMNOSE TRIACETATE WITH PHENYL DICHLOROPHOSPHATE IN PRESENCE OF TRIETHYLAMINE AND WITH /S/LEU-/S/TRP-OET IN SOLVENT, SAPONIFYING SEPARATED PRODUCT WITH ETHANOLIC BASE IN COLD, EVAPORATING ETHANOL ADIR ET COMPAGNIE (FR) 1997-03-04 US disclosed
US-5591728-A ENZYME INHIBITORS WITH AMIDE AND ESTER GROUPS ADIR ET COMPAGNIE (FR) 1997-01-07 US disclosed
US-5481030-A USED AS AN ENDOTHELIN CONVERTASE INHIBITOR ADIR ET COMPAGNIE (FR) 1996-01-02 US disclosed
EP-0639586-A1 Phosphonic acid derivatives, process for their preparation and pharmaceutical compositions comprising them ADIR ET COMPAGNIE (FR) 1995-02-22 EP disclosed