SCHEMBL6251990

SCHEMBL6251990

CCOC(=O)CCCCC(C(=O)CC)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
TDP1 Q9NUW8 4/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ATM Q13315 1/20 0.40
MEN1 O00255 1/20 0.40
NR1I2 O75469 1/20 0.39
PGR P06401 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
PTGS2 P35354 1/20 0.39
PDE4D Q08499 1/20 0.39
DGKA P23743 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39

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
SCHEMBL11654967 0.98 KMT2A (0.49) KMT2ACYP1A2POLBL3MBTL1TDP1
SCHEMBL11598732 0.87 KMT2A (0.54) KMT2ACYP1A2POLBL3MBTL1TDP1
SCHEMBL7971092 0.87 KMT2A (0.54) KMT2ACYP1A2POLBL3MBTL1TDP1
SCHEMBL14925275 0.87 L3MBTL1 (0.50) KMT2ACYP1A2POLBL3MBTL1TDP1
SCHEMBL24715407 0.86 KMT2A (0.50) KMT2ACYP1A2POLBL3MBTL1TDP1
SCHEMBL26598425 0.85 CYP1A2 (0.51) KMT2ACYP1A2POLBL3MBTL1TDP1
SCHEMBL29268682 0.85 DGKA (0.51) KMT2ATSHRALDH1A1MEN1DGKA
SCHEMBL15028249 0.84 KMT2A (0.51) KMT2ACYP1A2POLBL3MBTL1TDP1
SCHEMBL25212852 0.84 KMT2A (0.51) KMT2ACYP1A2POLBL3MBTL1TDP1
SCHEMBL7700641 0.84 TDP1 (0.42) KMT2AL3MBTL1TDP1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005063018-A1 HALOALKENE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND PESTICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2005-07-14 WO disclosed
WO-2004052872-A1 HALOALKENE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND PESTICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2004-06-24 WO disclosed