SCHEMBL6232131

SCHEMBL6232131

CCCOc1ccc(O)c(O)c1CCC

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.45
PPARD Q03181 2/20 0.45
PPARA Q07869 2/20 0.45
CYP1A2 P05177 2/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
CYP2C9 P11712 1/20 0.45
NFKB1 P19838 1/20 0.45
BLM P54132 1/20 0.45
GRM2 Q14416 1/20 0.45
CYSLTR2 Q9NS75 8/20 0.44
CYSLTR1 Q9Y271 8/20 0.44
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL6229050 0.91 PPARG (0.50) PPARGPPARDPPARACYP1A2MAPT
SCHEMBL6230632 0.90 ESR1 (0.44) PPARGPPARDPPARACYP1A2MAPT
SCHEMBL6233266 0.87 ESR1 (0.43) PPARGPPARDPPARACYP1A2MAPT
SCHEMBL6232353 0.81 CETP (0.49) MAPTLMNAHSD17B10
SCHEMBL11279092 0.79 PPARG (0.69) PPARGPPARDPPARACYP1A2MAPT
SCHEMBL6232138 0.79 CYP1A2 (0.49) PPARGPPARDPPARACYP1A2MAPT
SCHEMBL25329303 0.78 CSNK2A1 (0.41) MAPTMEN1KMT2AHSD17B10
SCHEMBL5588575 0.78 KDM4E (0.41) MAPTLMNAMEN1TSHRKMT2A
SCHEMBL6230569 0.77 ESR1 (0.44)
SCHEMBL6232977 0.76 ALOX5 (0.48) CYSLTR2CYSLTR1MEN1KMT2A

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