SCHEMBL9835984

SCHEMBL9835984

COC(Cn1cncn1)(c1ccc(Oc2ccc(Cl)cc2)cc1)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 5/20 0.42
CYP3A4 P08684 2/20 0.42
CYP19A1 P11511 3/20 0.38
POLB P06746 2/20 0.37
HSP90AA1 P07900 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.35
MEN1 O00255 2/20 0.35
HPGD P15428 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
SCHEMBL14645502 0.83 AR (0.38) KMT2AALDH1A1CYP3A4CYP19A1HSP90AA1
SCHEMBL9836080 0.82 KMT2A (0.49) KMT2AALDH1A1CYP3A4CYP19A1POLB
SCHEMBL9833601 0.80 KMT2A (0.47) KMT2AALDH1A1CYP3A4CYP19A1POLB
SCHEMBL10363437 0.78 CYP3A4 (0.40) KMT2AALDH1A1CYP3A4CYP19A1POLB
SCHEMBL14698060 0.78 CYP3A4 (0.38) KMT2AALDH1A1CYP3A4CYP19A1POLB
SCHEMBL10844692 0.77 HSP90AA1 (0.44) KMT2AALDH1A1CYP3A4CYP19A1HSP90AA1
SCHEMBL10361121 0.75 KMT2A (0.56) KMT2AALDH1A1CYP3A4CYP19A1POLB
SCHEMBL22407094 0.75 KMT2A (0.50) KMT2AALDH1A1CYP3A4CYP19A1POLB
SCHEMBL14698368 0.75 CYP3A4 (0.35) KMT2AALDH1A1CYP3A4CYP19A1POLB
SCHEMBL14698323 0.75 CYP19A1 (0.36) KMT2AALDH1A1CYP3A4CYP19A1POLB

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