SCHEMBL6931748

SCHEMBL6931748

C=CC(=O)OC(C(=O)OCCOCCOCCOCCOCCOCCO)c1ccc(O)c(CCCCCCCCC)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 6/20 0.41
ADRB3 P13945 6/20 0.41
THRB P10828 2/20 0.40
THRA P10827 1/20 0.40
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLCO1B3 Q9NPD5 1/20 0.37
SLCO1B1 Q9Y6L6 1/20 0.37
CNR2 P34972 6/20 0.36
ADRB1 P08588 5/20 0.35
APP P05067 3/20 0.35
CNR1 P21554 2/20 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
Tetraethylene Glycol SCHEMBL183156 0.75 THRA (0.51) THRBTHRAMEN1USP2ALDH1A1
Hexaethylene Glycol SCHEMBL6931753 0.75 ALDH1A1 (0.46) THRBTHRAMEN1USP2ALDH1A1
SCHEMBL6933298 0.74 THRB (0.46) THRBTHRAMEN1USP2ALDH1A1
Hexaethylene Glycol SCHEMBL8026237 0.74 MEN1 (0.45) THRBTHRAMEN1USP2ALDH1A1
SCHEMBL6931745 0.73 THRB (0.44) THRBTHRAMEN1ALDH1A1KMT2A
Hexaethylene Glycol SCHEMBL6925944 0.71 MEN1 (0.51) THRBMEN1USP2ALDH1A1LMNA
SCHEMBL5675242 0.71 THRB (0.50) THRBTHRAMEN1USP2ALDH1A1
SCHEMBL6930296 0.70 THRB (0.49) THRBTHRAMEN1ALDH1A1KMT2A
Ether SCHEMBL6933295 0.70 THRB (0.52) THRBTHRAMEN1CYP3A4KMT2A
Tetraethylene Glycol SCHEMBL19331555 0.70 THRB (0.63) THRBTHRAMEN1USP2ALDH1A1

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-0801117-B1 Antifouling resin composition NIPPON PAINT CO LTD (JP) 2003-11-26 EP disclosed
EP-0801117-A2 Antifouling resin composition Nippon Paint Co., Ltd. (JP) 1997-10-15 EP disclosed