SCHEMBL9836602

SCHEMBL9836602

CCC(CO)(OC)c1ccc(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.43
TSHR P16473 2/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
HPGD P15428 1/20 0.34
MAPT P10636 2/20 0.33
HSD17B10 Q99714 1/20 0.33
CASR P41180 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
RECQL P46063 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 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
SCHEMBL9835486 0.88 TDP1 (0.41) TDP1TSHRCYP3A4MAPK1L3MBTL1
SCHEMBL10453190 0.84 NR3C1 (0.34) TDP1L3MBTL1MAPTPOLBCYP19A1
SCHEMBL10453418 0.84 TSHR (0.36) TDP1TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL10453197 0.84 TDP1 (0.38) TDP1TSHRCYP3A4MAPK1L3MBTL1
SCHEMBL9835299 0.83 TDP1 (0.40) TDP1TSHRCYP3A4MAPK1L3MBTL1
SCHEMBL9833447 0.80 TSHR (0.37) TDP1TSHRCYP3A4MAPK1L3MBTL1
SCHEMBL9835035 0.77 TDP1 (0.40) TDP1TSHRCYP3A4MAPK1L3MBTL1
SCHEMBL9834736 0.77 TDP1 (0.37) TDP1TSHRCYP3A4MAPK1L3MBTL1
SCHEMBL10453218 0.77 TSHR (0.46) TDP1TSHRCYP3A4MAPK1MRGPRX4
SCHEMBL10453454 0.76 TDP1 (0.39) 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 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