SCHEMBL6233682

SCHEMBL6233682

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

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.40
CYSLTR2 Q9NS75 9/20 0.37
CYSLTR1 Q9Y271 9/20 0.37
THRA P10827 3/20 0.35
THRB P10828 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 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
SCHEMBL6233139 0.96 ALOX5 (0.41) ALOX5CYSLTR2CYSLTR1THRATHRB
SCHEMBL6232980 0.92 CYSLTR2 (0.40) CYSLTR2CYSLTR1MEN1KMT2ATP53
SCHEMBL6233436 0.91 CYSLTR2 (0.42) ALOX5CYSLTR2CYSLTR1THRATHRB
SCHEMBL6231511 0.88 ALOX5 (0.41) ALOX5MEN1KMT2A
SCHEMBL5589016 0.85 ESR1 (0.39) ALOX5CYSLTR2CYSLTR1TP53
SCHEMBL5590249 0.83 PPARG (0.37) ALOX5THRATHRB
SCHEMBL5587484 0.83 S1PR5 (0.43) ALOX5
SCHEMBL6230641 0.82 CYP1A2 (0.44) CYSLTR2CYSLTR1MEN1KMT2A
SCHEMBL6236706 0.81 ALOX5 (0.58) ALOX5
SCHEMBL5589666 0.81 ALOX5 (0.43) ALOX5CYSLTR2CYSLTR1TP53

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