SCHEMBL7708587

SCHEMBL7708587

OCCCc1c(O)ccc(O)c1CCCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
ALOX5 P09917 1/20 0.41
GAA P10253 1/20 0.41
BACE1 P56817 1/20 0.41
POLB P06746 1/20 0.39
CA2 P00918 4/20 0.39
IGF1R P08069 2/20 0.37
ALOX15 P16050 2/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
SLC28A3 Q9HAS3 1/20 0.35
CYP19A1 P11511 1/20 0.34
BCHE P06276 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 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
SCHEMBL2980903 0.87 KDM4E (0.37) KDM4EALDH1A1MAPTALOX5GAA
1,4-Butanediol SCHEMBL9285180 0.86 KDM4E (0.44) KDM4EALDH1A1MAPTALOX5GAA
SCHEMBL10987134 0.84 KDM4E (0.43) KDM4EALDH1A1MAPTALOX5GAA
1,6-Hexanediol SCHEMBL9278879 0.84 KDM4E (0.43) KDM4EALDH1A1MAPTALOX5GAA
SCHEMBL2989121 0.84 KDM4E (0.41) KDM4EALDH1A1MAPTALOX5GAA
SCHEMBL35629 0.82 KDM4E (0.50) KDM4EALDH1A1MAPTALOX5GAA
SCHEMBL29366321 0.82 KDM4E (0.50) KDM4EALDH1A1MAPTALOX5GAA
Ethylene Glycol SCHEMBL949668 0.80 KDM4E (0.48) KDM4EALDH1A1MAPTALOX5GAA
SCHEMBL28929217 0.77 CA2 (0.38) KDM4EALDH1A1MAPTPOLBCA2
SCHEMBL22899869 0.77 CA2 (0.35) KDM4EALDH1A1MAPTALOX5GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6359101-B1 POLYMERIZING AN EPOXIDE IN THE PRESENCE OF A DOUBLE METAL CYANIDE CATALYST AND A FIRST STARTER, REACTING WITH EPOXIDE TO PRODUCE POLYETHERPOLYOL SYNUTHANE INTERNATIONAL, INC. 2002-03-19 US claimed
US-6359101-B1 POLYMERIZING AN EPOXIDE IN THE PRESENCE OF A DOUBLE METAL CYANIDE CATALYST AND A FIRST STARTER, REACTING WITH EPOXIDE TO PRODUCE POLYETHERPOLYOL SYNUTHANE INTERNATIONAL, INC. 2002-03-19 US disclosed