SCHEMBL11092136

SCHEMBL11092136

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
EPHX2 P34913 1/20 0.36
NOD1 Q9Y239 2/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
NAMPT P43490 1/20 0.35
DGKA P23743 1/20 0.35

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
SCHEMBL11609561 0.90 KMT2A (0.57) KMT2APOLBL3MBTL1CYP1A2GAA
SCHEMBL11092751 0.88 KMT2A (0.50) KMT2APOLBL3MBTL1CYP1A2GAA
SCHEMBL11091266 0.87 KMT2A (0.47) KMT2APOLBL3MBTL1MAPTALDH1A1
SCHEMBL11087319 0.85 KMT2A (0.52) KMT2APOLBL3MBTL1CYP1A2GAA
SCHEMBL11090407 0.84 KMT2A (0.49) KMT2APOLBL3MBTL1CYP1A2GAA
SCHEMBL11086582 0.83 KMT2A (0.54) KMT2APOLBL3MBTL1CYP1A2GAA
SCHEMBL11082245 0.83 KMT2A (0.54) KMT2APOLBL3MBTL1MAPTALDH1A1
SCHEMBL11088768 0.83 KMT2A (0.54) KMT2APOLBL3MBTL1MAPTALDH1A1
SCHEMBL11086833 0.83 KMT2A (0.50) KMT2APOLBL3MBTL1CYP1A2GAA
SCHEMBL11085493 0.83 KMT2A (0.50) KMT2APOLBL3MBTL1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4486443-A PROSTAGLANDIN-LIKE EFFECTS BURROUGHS WELLCOME CO. (US) 1984-12-04 US disclosed
US-4262128-A HAVING PROSTAGLANDIN-LIKE BIOLOGICAL PROPERTIES BURROUGHS WELLCOME CO. (US) 1981-04-14 US disclosed
US-4207239-A HYPOTENSIVE, ANTIPSYCHOTIC THE UPJOHN COMPANY (US) 1980-06-10 US disclosed
US-4206123-A INTERMEDIATES FOR HYPOTENSIVES MCCALL JOHN M (US) 1980-06-03 US disclosed
US-4204068-A Nitrogen heterocycles BURROUGHS WELLCOME CO. (US) 1980-05-20 US disclosed