SCHEMBL6947345

SCHEMBL6947345

C=CCOCCOCCOCCOC(=O)C(C)(C)Br

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TSHR P16473 3/20 0.41
TP53 P04637 2/20 0.41
HIF1A Q16665 2/20 0.41
HSD17B10 Q99714 1/20 0.41
THRB P10828 2/20 0.36
TDP1 Q9NUW8 2/20 0.35
POLB P06746 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
CYP3A4 P08684 1/20 0.33
PKM P14618 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAPT P10636 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31

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
SCHEMBL16664312 1.00 ALDH1A1 (0.41) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL18095075 0.98 ALDH1A1 (0.38) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL14713388 0.91 ALDH1A1 (0.35) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL19881242 0.90 ALDH1A1 (0.35) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL14713399 0.89 THRB (0.35) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL12640739 0.89 THRB (0.35) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL14713286 0.87 POLB (0.33) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL21133635 0.85 TDP1 (0.35) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL14713292 0.85 POLB (0.34) ALDH1A1TSHRTP53HIF1AHSD17B10
SCHEMBL29781936 0.85 THRB (0.33) ALDH1A1TSHRTP53HIF1AHSD17B10

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
US-6653415-B1 Atom transfer radical polymerization (ATRP) by reaction with initiator BOETTCHER HENRIK (DE) 2003-11-25 US disclosed
EP-1124857-B1 METHOD FOR PRODUCING DEFINED LAYERS OR LAYER SYSTEMS BOETTCHER HENRIK (DE) 2003-04-09 EP disclosed