SCHEMBL6232980

SCHEMBL6232980

CCCOc1cc(OC(=O)O)c(O)c(CCC)c1OCCC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 13/20 0.40
CYSLTR1 Q9Y271 13/20 0.40
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
NFKB1 P19838 1/20 0.36
PPARG P37231 1/20 0.36
BLM P54132 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
GRM2 Q14416 1/20 0.36
LTB4R Q15722 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL6233436 0.93 CYSLTR2 (0.42) CYSLTR2CYSLTR1MEN1KMT2ALMNA
SCHEMBL6233682 0.92 ALOX5 (0.40) CYSLTR2CYSLTR1MEN1KMT2ATP53
SCHEMBL6233139 0.88 ALOX5 (0.41) CYSLTR2CYSLTR1LMNACYP1A2MAPT
SCHEMBL6234046 0.87 TSHR (0.42) MEN1KMT2ALMNA
SCHEMBL5590162 0.82 CYSLTR2 (0.37) CYSLTR2CYSLTR1PPARGPPARALTB4R
SCHEMBL5586925 0.82 CYSLTR2 (0.42) CYSLTR2CYSLTR1MEN1KMT2ALMNA
SCHEMBL6232138 0.81 CYP1A2 (0.49) CYSLTR2CYSLTR1MEN1KMT2ALMNA
SCHEMBL6233287 0.80 ALOX5 (0.50) MEN1KMT2AMAPT
SCHEMBL5588113 0.80 CYSLTR2 (0.43) CYSLTR2CYSLTR1GRM2
SCHEMBL6233833 0.80 KMT2A (0.36) MEN1KMT2AMAPTPPARGTP53

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