SCHEMBL6889697

SCHEMBL6889697

C=CCOCC=C.CCC(CO)(CO)COC(=O)/C=C\C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HIF1A Q16665 1/20 0.45
HCAR2 Q8TDS4 9/20 0.44
THRB P10828 1/20 0.39
MAPT P10636 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
ATM Q13315 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL18982825 0.89 THRB (0.48) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL4160617 0.89 THRB (0.48) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL18982828 0.89 THRB (0.48) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL8731878 0.88 HCAR2 (0.55) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL16248483 0.88 HCAR2 (0.55) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
Fumaric Acid SCHEMBL4160620 0.87 HCAR2 (0.36) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
Maleic Acid SCHEMBL28197410 0.87 HCAR2 (0.36) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL7578557 0.85 ALDH1A1 (0.64) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL21055350 0.82 HCAR2 (0.43) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL18982942 0.82 HCAR2 (0.43) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2

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
EP-0902803-B1 A THERMOPLASTIC COMPOUND PERSTORP AB (SE) 2004-09-22 EP claimed
EP-1187868-B1 HYPERBRANCHED DENDRITIC POLYETHER AND PROCESS FOR MANUFACTURE THEREOF PERSTORP AB (SE) 2004-07-07 EP claimed
EP-0788524-B1 HYPERBRANCHED MACROMOLECULE OF POLYESTER TYPE PERSTORP AB (SE) 2003-02-05 EP claimed
EP-0630389-B1 DENDRITIC MACROMOLECULE, PROCESS FOR PREPARATION THEREOF AND USE THEREOF PERSTORP AB (SE) 1998-04-29 EP claimed