SCHEMBL9834535

SCHEMBL9834535

CCCC(CO)(OC(C)C)c1ccc(Cl)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
RECQL P46063 1/20 0.32
LMNA P02545 2/20 0.32
TP53 P04637 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 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
SCHEMBL9835486 0.84 TDP1 (0.41) TDP1CYP3A4TSHRMAPK1SMN1; SMN2
SCHEMBL9835035 0.83 TDP1 (0.40) TDP1CYP3A4TSHRMAPK1SMN1; SMN2
SCHEMBL10453454 0.82 TDP1 (0.39) TDP1CYP3A4TSHRMAPK1SMN1; SMN2
SCHEMBL9835267 0.80 TDP1 (0.33) TDP1CYP3A4TSHRMAPK1SMN1; SMN2
SCHEMBL10453185 0.80 TDP1 (0.40) TDP1CYP3A4TSHRMAPK1SMN1; SMN2
SCHEMBL10453417 0.80 TDP1 (0.37) TDP1CYP3A4TSHRMAPK1SMN1; SMN2
SCHEMBL9836252 0.78 HTT (0.36) TDP1CYP3A4TSHRMAPK1SMN1; SMN2
SCHEMBL10453416 0.78 TDP1 (0.36) TDP1CYP3A4TSHRMAPK1SMN1; SMN2
SCHEMBL10453485 0.77 TSHR (0.35) TDP1CYP3A4TSHRMAPK1CYP1A2
SCHEMBL10452417 0.76 NPC1 (0.39) TDP1CYP3A4TSHRMAPK1SMN1; SMN2

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