SCHEMBL9835486

SCHEMBL9835486

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34
RECQL P46063 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL10453197 0.90 TDP1 (0.38) TDP1TSHRCYP3A4MAPK1L3MBTL1
SCHEMBL9836602 0.88 TDP1 (0.43) TDP1TSHRCYP3A4MAPK1L3MBTL1
SCHEMBL9835035 0.87 TDP1 (0.40) TDP1TSHRCYP3A4MAPK1L3MBTL1
SCHEMBL10453454 0.85 TDP1 (0.39) TDP1TSHRCYP3A4MAPK1L3MBTL1
SCHEMBL9836252 0.85 HTT (0.36) TDP1TSHRCYP3A4MAPK1L3MBTL1
SCHEMBL9834535 0.84 TDP1 (0.38) TDP1TSHRCYP3A4MAPK1L3MBTL1
SCHEMBL10453185 0.83 TDP1 (0.40) TDP1TSHRCYP3A4MAPK1L3MBTL1
SCHEMBL10453417 0.83 TDP1 (0.37) TDP1TSHRCYP3A4MAPK1L3MBTL1
SCHEMBL10453416 0.82 TDP1 (0.36) TDP1TSHRCYP3A4MAPK1L3MBTL1
SCHEMBL10453485 0.81 TSHR (0.35) TDP1TSHRCYP3A4MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2096544-A None JP disclosed
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
JP-H0296544-A GLYCOL MONOETHER AND ITS PREPARATION CIBA GEIGY AG 1990-04-09 JP 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