SCHEMBL6931745

SCHEMBL6931745

C=CC(=O)OCCOCCOCCOCCOCCOCCOC(=O)Cc1ccc(O)c(CCCCCCCCC)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.44
THRA P10827 4/20 0.44
YWHAG P61981 1/20 0.43
TSHR P16473 3/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TP53 P04637 2/20 0.40
HIF1A Q16665 2/20 0.40
HSD17B10 Q99714 1/20 0.40
APP P05067 4/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KAT8 Q9H7Z6 2/20 0.39

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
Ethylene SCHEMBL6931741 0.96 THRB (0.46) THRBTHRAYWHAGTSHRHPGD
SCHEMBL8131870 0.86 YWHAG (0.56) YWHAGALDH1A1KAT8
SCHEMBL8137604 0.85 YWHAG (0.52) YWHAGKAT8
SCHEMBL6933298 0.85 THRB (0.46) THRBTHRATSHRHPGDALDH1A1
SCHEMBL6930296 0.85 THRB (0.49) THRBTHRATSHRHPGDALDH1A1
Hexaethylene Glycol SCHEMBL6931753 0.81 ALDH1A1 (0.46) THRBTHRATSHRHPGDALDH1A1
SCHEMBL14477492 0.76 ALDH1A1 (0.66) THRBTHRATSHRHPGDALDH1A1
SCHEMBL9446718 0.76 ALDH1A1 (0.66) THRBTHRATSHRHPGDALDH1A1
SCHEMBL10033661 0.76 ALDH1A1 (0.66) THRBTHRATSHRHPGDALDH1A1
SCHEMBL14091318 0.76 ALDH1A1 (0.66) THRBTHRATSHRHPGDALDH1A1

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