SCHEMBL9834796

SCHEMBL9834796

COC(C)(Cn1cncn1)c1ccc(Oc2ccc(Cl)cc2)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 3/20 0.42
KMT2A Q03164 3/20 0.39
CYP19A1 P11511 4/20 0.38
KDM4E B2RXH2 3/20 0.37
POLB P06746 3/20 0.36
TSHR P16473 2/20 0.36
HSP90AA1 P07900 2/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CYP2C19 P33261 1/20 0.35
ADRA1A P35348 1/20 0.35
CYP51A1 Q16850 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL15823160 0.90 ALDH1A1 (0.43) ALDH1A1CYP3A4KMT2ACYP19A1KDM4E
SCHEMBL17223583 0.90 ALDH1A1 (0.43) ALDH1A1CYP3A4KMT2ACYP19A1KDM4E
SCHEMBL9835349 0.90 ALDH1A1 (0.43) ALDH1A1CYP3A4KMT2ACYP19A1KDM4E
SCHEMBL15757192 0.88 ALDH1A1 (0.42) ALDH1A1CYP3A4KMT2ACYP19A1KDM4E
SCHEMBL9835575 0.88 CYP3A4 (0.40) ALDH1A1CYP3A4KMT2ACYP19A1KDM4E
SCHEMBL15756666 0.88 AR (0.41) ALDH1A1CYP3A4KMT2ACYP19A1KDM4E
SCHEMBL15823628 0.87 CYP3A4 (0.41) ALDH1A1CYP3A4KMT2ACYP19A1KDM4E
SCHEMBL14645811 0.87 CYP3A4 (0.41) ALDH1A1CYP3A4KMT2ACYP19A1KDM4E
SCHEMBL15821872 0.87 CYP3A4 (0.41) ALDH1A1CYP3A4KMT2ACYP19A1KDM4E
SCHEMBL9834396 0.86 ALDH1A1 (0.39) ALDH1A1CYP3A4KMT2ACYP19A1KDM4E

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