SCHEMBL6060040

SCHEMBL6060040

CC[C@@H]1OC[C@H](COc2ccc(Oc3ccccc3)cc2)O1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 4/20 0.46
TP53 P04637 3/20 0.46
TSHR P16473 3/20 0.46
HIF1A Q16665 2/20 0.46
CYP3A4 P08684 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LTA4H P09960 6/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
CYP1A2 P05177 1/20 0.46
PPARG P37231 1/20 0.46
PKM P14618 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
GLA P06280 1/20 0.41
PDK1 Q15118 1/20 0.40

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
SCHEMBL5933073 1.00 TDP1 (0.59) TDP1MEN1KMT2AALDH1A1TP53
SCHEMBL677583 1.00 TDP1 (0.59) TDP1MEN1KMT2AALDH1A1TP53
SCHEMBL27538 1.00 TDP1 (0.59) TDP1MEN1KMT2AALDH1A1TP53
SCHEMBL16982677 1.00 TDP1 (0.59) TDP1MEN1KMT2AALDH1A1TP53
SCHEMBL27419211 0.94 ALDH1A1 (0.50) TDP1MEN1KMT2AALDH1A1TP53
SCHEMBL28612378 0.94 TDP1 (0.67) TDP1MEN1KMT2AALDH1A1TP53
SCHEMBL9403932 0.89 TDP1 (0.56) TDP1MEN1KMT2AALDH1A1TP53
Pyrazole SCHEMBL27841618 0.89 TDP1 (0.47) TDP1MEN1KMT2AALDH1A1TP53
SCHEMBL9838162 0.88 ALDH1A1 (0.44) TDP1MEN1KMT2AALDH1A1TP53
SCHEMBL7590829 0.86 TP53 (0.46) TDP1MEN1KMT2AALDH1A1TP53

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252719-B2 Microemulsifiable hydrophobic concentrates containing an alkyl alkanoate with a poyhydric alcohol, a polyhydric alcohol condensate or a mixture thereof and at least one surfactant; nontoxic, preemergent and postemergent herbicides; improved storage stability SYNGENTA LIMITED (GB) 2012-08-28 US claimed
EP-1347681-B1 AGROCHEMICAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2006-02-22 EP claimed
US-20050043182-A1 Agrochemical compositions SYNGENTA CROP PROTECTION, INC. 2005-02-24 US claimed
EP-1347681-A2 AGROCHEMICAL COMPOSITIONS Syngenta Participations AG (CH) 2003-10-01 EP claimed
WO-2002045507-A2 MICROEMULSIFIABLE AGROCHEMICAL CONCENTRATE SYNGENTA PARTICIPATIONS AG (CH) 2002-06-13 WO claimed
EP-0501912-B1 Methyldioxolane CIBA GEIGY AG (CH) 1996-08-14 EP claimed
US-5280041-A Such as 4-((4-phenoxyphenoxy)methyl)dioxolan CIBA-GEIGY CORPORATION (US) 1994-01-18 US claimed
JP-5092968-A None JP disclosed
JP-6183913-A None JP disclosed
US-8252719-B2 Microemulsifiable hydrophobic concentrates containing an alkyl alkanoate with a poyhydric alcohol, a polyhydric alcohol condensate or a mixture thereof and at least one surfactant; nontoxic, preemergent and postemergent herbicides; improved storage stability SYNGENTA LIMITED (GB) 2012-08-28 US disclosed
EP-1347681-B1 AGROCHEMICAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2006-02-22 EP disclosed
US-20050043182-A1 Agrochemical compositions SYNGENTA CROP PROTECTION, INC. 2005-02-24 US disclosed
EP-1347681-A2 AGROCHEMICAL COMPOSITIONS Syngenta Participations AG (CH) 2003-10-01 EP disclosed
US-5384416-A Stereospecific insecticides CIBA-GEIGY CORPORATION (US) 1995-01-24 US disclosed
EP-0611253-A1 Process for the preparation of microcapsules CIBA-GEIGY AG (CH) 1994-08-17 EP disclosed
JP-H06183913-A METHOD FOR CONTROLLING INSECTS CIBA GEIGY AG 1994-07-05 JP disclosed
US-5280041-A Such as 4-((4-phenoxyphenoxy)methyl)dioxolan CIBA-GEIGY CORPORATION (US) 1994-01-18 US disclosed
US-5280041-A Such as 4-((4-phenoxyphenoxy)methyl)dioxolan CIBA-GEIGY CORPORATION (US) 1994-01-18 US disclosed
JP-H0592968-A METHYLDIOXOLAN CIBA GEIGY AG 1993-04-16 JP disclosed
EP-0501912-A1 Methyldioxolane CIBA-GEIGY AG (CH) 1992-09-02 EP disclosed