SCHEMBL6233429

SCHEMBL6233429

CCCCOc1cc(O)c(O)c(CCC)c1OCCCC

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.54
ESR1 P03372 2/20 0.41
LTB4R Q15722 1/20 0.39
CYSLTR2 Q9NS75 6/20 0.39
CYSLTR1 Q9Y271 6/20 0.39
HMGCR P04035 1/20 0.38
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
NFKB1 P19838 1/20 0.37
PPARG P37231 1/20 0.37
BLM P54132 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
GRM2 Q14416 1/20 0.37

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 0.94 ALOX5 (0.57) ALOX5ESR1LMNAMAPT
SCHEMBL6232977 0.92 ALOX5 (0.48) ALOX5LTB4RCYSLTR2CYSLTR1HMGCR
SCHEMBL6233674 0.89 ALOX5 (0.56) ALOX5ESR1LTB4R
SCHEMBL6234043 0.83 ALOX5 (0.49) ALOX5ESR1HMGCRLMNA
SCHEMBL6231507 0.81 ALOX5 (0.57) ALOX5ESR1LMNA
SCHEMBL6233436 0.80 CYSLTR2 (0.42) ALOX5CYSLTR2CYSLTR1LMNACYP1A2
SCHEMBL5586919 0.77 ESR1 (0.41) ALOX5ESR1LTB4RHMGCR
SCHEMBL6229050 0.77 PPARG (0.50) ESR1CYSLTR2CYSLTR1LMNACYP1A2
SCHEMBL6259480 0.76 ESR1 (0.40) ALOX5ESR1
SCHEMBL6235771 0.76 ESR1 (0.40) ALOX5ESR1CYP1A2CYP2C9

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