SCHEMBL6233677

SCHEMBL6233677

CCCCOC(=O)c1c(O)c(O)cc(OCCC)c1OCCC

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.55
AKR1C4 P17516 1/20 0.49
AKR1C3 P42330 1/20 0.49
AKR1C2 P52895 1/20 0.49
AKR1C1 Q04828 1/20 0.49
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
NR1H2 P55055 1/20 0.42
RNASEL Q05823 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL6233138 0.97 ESR1 (0.57) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6233434 0.96 ESR1 (0.52) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6232978 0.93 ESR1 (0.44) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6231510 0.89 ESR1 (0.55) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6234044 0.83 NR1H2 (0.44) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6235773 0.83 ESR1 (0.43) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6259483 0.83 ESR1 (0.43) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6236702 0.82 ESR1 (0.56) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL5588576 0.81 TP53 (0.41) ESR1SMN1; SMN2
SCHEMBL6233829 0.81 CA12 (0.43) ESR1AKR1C4AKR1C3AKR1C2AKR1C1

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