SCHEMBL9834736

SCHEMBL9834736

CCC(COS(C)(=O)=O)(OC)c1ccc(Cl)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.37
TSHR P16473 2/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
FLT1 P17948 6/20 0.34
FLT4 P35916 6/20 0.34
KDR P35968 6/20 0.34
POLB P06746 3/20 0.34
RORC P51449 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
THRB P10828 1/20 0.31
RECQL P46063 1/20 0.31
TRPV4 Q9HBA0 1/20 0.31
CCR2 P41597 1/20 0.31
MRGPRX4 Q96LA9 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
SCHEMBL9836034 0.90 TDP1 (0.35) TDP1TSHRCYP3A4MAPK1FLT1
SCHEMBL9835821 0.86 TP53 (0.34) TDP1TSHRCYP3A4MAPK1FLT1
SCHEMBL9835392 0.83 POLB (0.32) TDP1TSHRCYP3A4MAPK1POLB
SCHEMBL9834882 0.81 TDP1 (0.34) TDP1TSHRCYP3A4MAPK1POLB
SCHEMBL9835333 0.79 SLC6A9 (0.32) TDP1TSHRCYP3A4MAPK1FLT1
SCHEMBL9835267 0.79 TDP1 (0.33) TDP1TSHRCYP3A4MAPK1POLB
SCHEMBL9836602 0.77 TDP1 (0.43) TDP1TSHRCYP3A4MAPK1POLB
SCHEMBL9482770 0.75 TDP1 (0.36) TDP1TSHRCYP3A4MAPK1POLB
SCHEMBL9835422 0.72 KMT2A (0.39) TDP1MAPK1POLBRORCKDM4E
SCHEMBL11469388 0.70 KMT2A (0.34) TDP1TSHRCYP3A4MAPK1POLB

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