SCHEMBL9835759

SCHEMBL9835759

C=CCOC(CC)(Cn1cncn1)c1ccc(Oc2ccc(Cl)cc2)cc1C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.35
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 3/20 0.34
CYP19A1 P11511 4/20 0.33
KDM4E B2RXH2 3/20 0.32
POLB P06746 2/20 0.32
TSHR P16473 2/20 0.32
MEN1 O00255 2/20 0.31
THRB P10828 1/20 0.31
LMNA P02545 1/20 0.31
HSP90AA1 P07900 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
CYP2C19 P33261 1/20 0.31
ADRA1A P35348 1/20 0.31
CYP51A1 Q16850 1/20 0.31
HTT P42858 1/20 0.31
GAA P10253 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
SCHEMBL9833349 0.93 CYP3A4 (0.36) CYP3A4ALDH1A1KMT2ACYP19A1KDM4E
SCHEMBL9835891 0.92 CYP3A4 (0.36) CYP3A4ALDH1A1KMT2ACYP19A1KDM4E
SCHEMBL9834396 0.87 ALDH1A1 (0.39) CYP3A4ALDH1A1KMT2ACYP19A1KDM4E
SCHEMBL9833953 0.86 ALDH1A1 (0.39) CYP3A4ALDH1A1KMT2ACYP19A1KDM4E
SCHEMBL9836120 0.84 CYP3A4 (0.37) CYP3A4ALDH1A1KMT2ACYP19A1KDM4E
SCHEMBL9835887 0.83 CYP3A4 (0.37) CYP3A4ALDH1A1KMT2ACYP19A1POLB
SCHEMBL15770528 0.81 CYP3A4 (0.39) CYP3A4ALDH1A1KMT2ACYP19A1KDM4E
SCHEMBL9833611 0.80 CYP3A4 (0.39) CYP3A4ALDH1A1KMT2ACYP19A1KDM4E
SCHEMBL20107126 0.79 CYP3A4 (0.44) CYP3A4ALDH1A1KMT2ACYP19A1KDM4E
SCHEMBL9834040 0.79 ALDH1A1 (0.39) CYP3A4ALDH1A1KMT2ACYP19A1KDM4E

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
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 claimed
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 claimed
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