SCHEMBL10879306

SCHEMBL10879306

CCCOc1ccc(C(C)(C)CO)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ ACACB O00763 3/20 0.54
▸ LTA4H P09960 1/20 0.50
▸ PLK1 P53350 1/20 0.49
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CYP1A1 P04798 1/20 0.46
▸ CYP1B1 Q16678 1/20 0.46
▸ MAOB P27338 4/20 0.45
▸ HRH3 Q9Y5N1 4/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ LMNA P02545 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA9 Q16790 1/20 0.43

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
SCHEMBL10879465 0.93 CYP3A4 (0.57) CYP3A4SMN1; SMN2ACACBLTA4HMAOB
SCHEMBL7749333 0.85 NQO1 (0.56) CYP3A4SMN1; SMN2LTA4HPLK1CYP1A1
SCHEMBL13523965 0.81 CYP3A4 (0.72) CYP3A4SMN1; SMN2ACACBLTA4HPLK1
SCHEMBL271059 0.80 KDM4E (0.56) SMN1; SMN2ACACBLTA4HPLK1MEN1
SCHEMBL84118 0.80 SMN1; SMN2 (0.58) CYP3A4SMN1; SMN2ACACBLTA4HPLK1
SCHEMBL6333576 0.80 LTA4H (0.52) CYP3A4SMN1; SMN2ACACBLTA4HPLK1
SCHEMBL11965459 0.80 SMN1; SMN2 (0.60) CYP3A4SMN1; SMN2ACACBLTA4HPLK1
SCHEMBL13902305 0.79 CYP3A4 (0.68) CYP3A4SMN1; SMN2ACACBMEN1KMT2A
SCHEMBL14340613 0.79 CYP3A4 (0.54) CYP3A4SMN1; SMN2ACACBLTA4HCYP1A1
SCHEMBL1506598 0.78 CA1 (0.50) CYP3A4SMN1; SMN2MEN1KMT2AL3MBTL1

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-0094085-B1 ETHER COMPOUNDS, THEIR PRODUCTION AND AN INSECTICIDAL AND/OR ACARICIDAL COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-01-02 — — EP disclosed
US-4562213-A Certain phenoxy-benzyloxy ether derivatives and an insecticidal and/or acaricidal composition containing the same and methods of use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-12-31 — — US disclosed
EP-0094085-A1 Ether compounds, their production and an insecticidal and/or acaricidal composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-11-16 — — EP disclosed
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