SCHEMBL9835392

SCHEMBL9835392

C=CCOC(CC)(COS(C)(=O)=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 2/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
RORC P51449 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
SCHEMBL9835821 0.84 TP53 (0.34) POLBHPGDTSHRCYP3A4MAPK1
SCHEMBL9834736 0.83 TDP1 (0.37) POLBHPGDTSHRCYP3A4MAPK1
SCHEMBL9833447 0.80 TSHR (0.37) POLBHPGDTSHRCYP3A4MAPK1
SCHEMBL9834882 0.77 TDP1 (0.34) POLBTSHRCYP3A4MAPK1TDP1
SCHEMBL9836034 0.76 TDP1 (0.35) POLBHPGDTSHRCYP3A4MAPK1
SCHEMBL9835333 0.74 SLC6A9 (0.32) POLBTSHRCYP3A4MAPK1TDP1
SCHEMBL10453485 0.73 TSHR (0.35) POLBHPGDTSHRCYP3A4MAPK1
SCHEMBL9835267 0.73 TDP1 (0.33) POLBHPGDTSHRCYP3A4MAPK1
SCHEMBL9835887 0.71 CYP3A4 (0.37) POLBTSHRCYP3A4LMNAMEN1
SCHEMBL9482770 0.69 TDP1 (0.36) POLBTSHRCYP3A4MAPK1TDP1

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