SCHEMBL6233674

SCHEMBL6233674

CCCCc1c(O)c(O)cc(OCCC)c1OCCC

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.56
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ESR1 P03372 5/20 0.37
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
AKR1C4 P17516 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL6233136 0.95 ALOX5 (0.57) ALOX5NPC1HPGDMAPK1HTT
SCHEMBL6232977 0.90 ALOX5 (0.48) ALOX5LTB4RMEN1KMT2A
SCHEMBL6233429 0.89 ALOX5 (0.54) ALOX5ESR1LTB4R
SCHEMBL6231507 0.86 ALOX5 (0.57) ALOX5NPC1HPGDMAPK1HTT
SCHEMBL6233682 0.80 ALOX5 (0.40) ALOX5MEN1KMT2A
SCHEMBL5587249 0.79 ALOX5 (0.40) ALOX5NPC1HPGDMAPK1HTT
SCHEMBL6230632 0.78 ESR1 (0.44) ALOX5NPC1HPGDMAPK1HTT
SCHEMBL6236701 0.78 ALOX5 (0.88) ALOX5NPC1HPGDMAPK1HTT
SCHEMBL5588832 0.76 HPGD (0.44) ALOX5NPC1HPGDMAPK1HTT
SCHEMBL6233139 0.76 ALOX5 (0.41) ALOX5ESR1

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
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP disclosed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO disclosed