SCHEMBL6933241

SCHEMBL6933241

C=CC(=O)OCCOCCOCCOCCOCCOCCNc1cc(CCCCCCCCC)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.46
KAT8 Q9H7Z6 2/20 0.44
THRA P10827 5/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PPARA Q07869 1/20 0.41
TSHR P16473 3/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
MAPT P10636 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 2/20 0.40
HIF1A Q16665 2/20 0.40

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
SCHEMBL6926042 0.83 MEN1 (0.54) THRBKAT8MEN1KMT2APPARA
SCHEMBL6930296 0.82 THRB (0.49) THRBKAT8THRAMEN1KMT2A
SCHEMBL6930607 0.80 THRB (0.49) THRBPPARA
SCHEMBL6931745 0.76 THRB (0.44) THRBKAT8THRAMEN1KMT2A
SCHEMBL10033661 0.75 ALDH1A1 (0.66) THRBTHRAMEN1KMT2ATSHR
SCHEMBL14091318 0.75 ALDH1A1 (0.66) THRBTHRAMEN1KMT2ATSHR
SCHEMBL14477492 0.75 ALDH1A1 (0.66) THRBTHRAMEN1KMT2ATSHR
SCHEMBL9446718 0.75 ALDH1A1 (0.66) THRBTHRAMEN1KMT2ATSHR
SCHEMBL25989591 0.75 THRB (0.51) THRBPPARATSHRHPGD
SCHEMBL6933146 0.74 PPARA (0.50) THRBKAT8THRAMEN1KMT2A

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