SCHEMBL6236701

SCHEMBL6236701

CCCCc1c(O)c(O)cc(OC)c1OC

nearest known ligand 0.88

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 18/20 0.88
HMGCR P04035 1/20 0.46
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PTGS2 P35354 3/20 0.43

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
SCHEMBL6233280 0.90 ALOX5 (0.77) ALOX5HMGCRMAPK1PTGS2
SCHEMBL27868551 0.81 ALOX5 (0.73) ALOX5HMGCRPTGS2
SCHEMBL6236706 0.79 ALOX5 (0.58) ALOX5
SCHEMBL18029847 0.79 ALOX5 (0.75) ALOX5PTGS2
SCHEMBL6231507 0.79 ALOX5 (0.57) ALOX5NPC1HPGDMAPK1HTT
SCHEMBL6233136 0.79 ALOX5 (0.57) ALOX5NPC1HPGDMAPK1HTT
SCHEMBL5588414 0.78 ALOX5 (0.54) ALOX5NPC1HPGDMAPK1HTT
SCHEMBL6233674 0.78 ALOX5 (0.56) ALOX5NPC1HPGDMAPK1HTT
SCHEMBL515721 0.76 ALOX5 (0.57) ALOX5NPC1HPGDMAPK1HTT
SCHEMBL9578675 0.76 ALOX5 (0.88) ALOX5HMGCRPTGS2

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