SCHEMBL7058655

SCHEMBL7058655

CCOC(OCC)C(=O)C(C)C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
ALDH1A1 P00352 6/20 0.36
HSD17B10 Q99714 1/20 0.36
THRB P10828 1/20 0.35
TDP1 Q9NUW8 2/20 0.31
TSHR P16473 2/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL844028 0.78 ALDH1A1 (0.43) LMNAALDH1A1HSD17B10THRBTDP1
SCHEMBL11240243 0.78 ALDH1A1 (0.42) LMNAALDH1A1HSD17B10THRBTDP1
SCHEMBL12523454 0.76 LMNA (0.45) LMNAALDH1A1HSD17B10THRB
SCHEMBL21482196 0.74 LMNA (0.36) LMNAALDH1A1TDP1TSHR
SCHEMBL859766 0.74
SCHEMBL11474603 0.74 ALDH1A1 (0.39) LMNAALDH1A1HSD17B10THRBTDP1
SCHEMBL12955806 0.74
SCHEMBL12955873 0.74
Acetic Acid SCHEMBL5183331 0.73 GABRP (0.39) LMNAALDH1A1HSD17B10THRB
SCHEMBL11249852 0.72

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6562833-B1 Treating the fungi or the plants, seeds, material or the soil to be protected against fungal infection with a fungicidally effective amount of at least one 2-(N-phenylamino)pyrimidine BASF AKTIENGESELLSCHAFT (DE) 2003-05-13 US disclosed
EP-1085807-B1 USE OF 2-(N-PHENYLAMINO)PYRIMIDINES AS FUNGICIDES, AND NOVEL 2-(N-PHENYLAMINO)PYRIMIDINES BASF AG (DE) 2003-05-07 EP disclosed
EP-1085807-A1 USE OF 2-(N-PHENYLAMINO)PYRIMIDINES AS FUNGICIDES, AND NOVEL 2-(N-PHENYLAMINO)PYRIMIDINES BASF AKTIENGESELLSCHAFT (DE) 2001-03-28 EP disclosed
WO-1999063821-A1 USE OF 2-(N-PHENYLAMINO)PYRIMIDINES AS FUNGICIDES, AND NOVEL 2-(N-PHENYLAMINO)PYRIMIDINES BASF AKTIENGESELLSCHAFT (DE) 1999-12-16 WO disclosed