SCHEMBL9835333

SCHEMBL9835333

CCCC(COS(C)(=O)=O)(OCCOC)c1ccc(Cl)cc1Cl

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
RECQL P46063 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
PPARG P37231 1/20 0.30
FLT1 P17948 1/20 0.30
FLT4 P35916 1/20 0.30
KDR P35968 1/20 0.30

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
SCHEMBL9834882 0.88 TDP1 (0.34) TDP1L3MBTL1POLBTHRBRECQL
SCHEMBL9836034 0.87 TDP1 (0.35) TDP1L3MBTL1POLBTHRBRECQL
SCHEMBL9835821 0.83 TP53 (0.34) TDP1L3MBTL1POLBTHRBRECQL
SCHEMBL9835267 0.81 TDP1 (0.33) TDP1L3MBTL1POLBTHRBRECQL
SCHEMBL9836252 0.81 HTT (0.36) TDP1L3MBTL1POLBTHRBRECQL
SCHEMBL9834736 0.79 TDP1 (0.37) TDP1L3MBTL1POLBTHRBRECQL
SCHEMBL9835422 0.79 KMT2A (0.39) TDP1POLBRECQLKMT2AMAPK1
SCHEMBL9835392 0.74 POLB (0.32) TDP1POLBKMT2ACYP3A4TSHR
SCHEMBL9482770 0.73 TDP1 (0.36) TDP1L3MBTL1POLBTHRBRECQL
SCHEMBL10453454 0.71 TDP1 (0.39) TDP1L3MBTL1POLBTHRBRECQL

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0126430-B1 PROCESS FOR THE PREPARATION OF 1-TRIAZOLYLETHYLETHER-DERIVATIVES, AND MICROBICIDAL COMPOSITIONS CONTAINING NOVEL 1-TRIAZOLYL-PHENOXYPHENYLETHYLETHER-DERIVATIVES AS ACTIVE INGREDIENTS AND THEIR USE CIBA-GEIGY AG (CH) 1991-08-28 EP disclosed
US-4945100-A Process for the preparation of 1-triazolylethyl ether derivatives CIBA-GEIGY CORPORATION (US) 1990-07-31 US disclosed
EP-0126430-A2 Process for the preparation of 1-triazolylethylether-derivatives, and microbicidal compositions containing novel 1-triazolyl-phenoxyphenylethylether-derivatives as active ingredients and their use CIBA-GEIGY AG (CH) 1984-11-28 EP disclosed