SCHEMBL6233436

SCHEMBL6233436

CCCCOc1cc(OC(=O)O)c(O)c(CCC)c1OCCCC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 14/20 0.42
CYSLTR1 Q9Y271 14/20 0.42
CYP1A2 P05177 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
CYP2C9 P11712 1/20 0.40
NFKB1 P19838 1/20 0.40
PPARG P37231 1/20 0.40
BLM P54132 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
GRM2 Q14416 1/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALOX5 P09917 1/20 0.38

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
SCHEMBL6233139 0.95 ALOX5 (0.41) CYSLTR2CYSLTR1CYP1A2MAPTLMNA
SCHEMBL6232980 0.93 CYSLTR2 (0.40) CYSLTR2CYSLTR1CYP1A2MAPTLMNA
SCHEMBL6233682 0.91 ALOX5 (0.40) CYSLTR2CYSLTR1THRATHRBMEN1
SCHEMBL5586925 0.89 CYSLTR2 (0.42) CYSLTR2CYSLTR1CYP1A2MAPTLMNA
SCHEMBL6234046 0.86 TSHR (0.42) LMNATHRBMEN1TSHRKMT2A
SCHEMBL6231511 0.84 ALOX5 (0.41) LMNAMEN1TSHRKMT2AALOX5
SCHEMBL5588113 0.84 CYSLTR2 (0.43) CYSLTR2CYSLTR1GRM2
SCHEMBL5589016 0.83 ESR1 (0.39) CYSLTR2CYSLTR1CYP1A2MAPTLMNA
SCHEMBL5589666 0.82 ALOX5 (0.43) CYSLTR2CYSLTR1TSHRALOX5
SCHEMBL6229056 0.82 CYP1A2 (0.54) CYSLTR2CYSLTR1CYP1A2MAPTLMNA

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