SCHEMBL6901399

SCHEMBL6901399

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

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
L3MBTL1 Q9Y468 5/20 0.51
MAPT P10636 2/20 0.51
MAPK1 P28482 3/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
CPB2 Q96IY4 2/20 0.48
ALDH1A1 P00352 3/20 0.47
TSHR P16473 1/20 0.47
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL21073906 1.00 TDP1 (0.55) TDP1KMT2AMEN1L3MBTL1MAPT
SCHEMBL11655565 0.97 TDP1 (0.56) TDP1KMT2AMEN1L3MBTL1MAPT
SCHEMBL7508355 0.93 TDP1 (0.50) TDP1KMT2AMEN1L3MBTL1MAPT
SCHEMBL182928 0.93 TDP1 (0.50) TDP1KMT2AMEN1L3MBTL1MAPT
SCHEMBL5849644 0.93 TDP1 (0.50) TDP1KMT2AMEN1L3MBTL1MAPT
SCHEMBL9116048 0.93 TDP1 (0.50) TDP1KMT2AMEN1L3MBTL1MAPT
SCHEMBL4416096 0.93 TDP1 (0.50) TDP1KMT2AMEN1L3MBTL1MAPT
SCHEMBL10017368 0.93 TDP1 (0.50) TDP1KMT2AMEN1L3MBTL1MAPT
SCHEMBL2948251 0.93 TDP1 (0.50) TDP1KMT2AMEN1L3MBTL1MAPT
SCHEMBL6828633 0.93 TDP1 (0.50) TDP1KMT2AMEN1L3MBTL1MAPT

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
CN-104447277-A Co-production method for capacitance-grade 2-butylsebacic acid and 2, 9-butylsebacic acid JIANGSU GUOTAI SUPER POWER NEW MATERIALS CO LTD 2015-03-25 CN disclosed
EP-1384706-A1 Process for the monoalkylation of C-H acid methylene groups Degussa AG (DE) 2004-01-28 EP disclosed