SCHEMBL5708116

SCHEMBL5708116

CC(CCCOC(=O)CC(=O)OCCCC(C)C1CCCC(C)(C)C1)C1CCCC(C)(C)C1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 16/20 0.36
EP300 Q09472 1/20 0.32
HIF1A Q16665 1/20 0.32
CREBBP Q92793 1/20 0.32
CDC25A P30304 1/20 0.32

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
SCHEMBL5708114 0.94 CDC25A (0.34) NR1H4EP300HIF1ACREBBPCDC25A
SCHEMBL5708060 0.92 EP300 (0.35) NR1H4EP300HIF1ACREBBP
SCHEMBL5708044 0.89 NR1H4 (0.35) NR1H4EP300HIF1ACREBBPCDC25A
SCHEMBL5708067 0.89 NR1H4 (0.35) NR1H4EP300HIF1ACREBBPCDC25A
SCHEMBL5708065 0.88 CDC25A (0.34) NR1H4CDC25A
SCHEMBL5708041 0.86 NR1H4 (0.33) NR1H4CDC25A
SCHEMBL5708058 0.86 EP300 (0.33) NR1H4EP300HIF1ACREBBPCDC25A
SCHEMBL5708022 0.83 NR1H4 (0.31) NR1H4
SCHEMBL5708077 0.81 EP300 (0.34) NR1H4EP300HIF1ACREBBP
SCHEMBL5708030 0.81 EP300 (0.34) NR1H4EP300HIF1ACREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1398366-B1 Fruity musk compositions INT FLAVORS & FRAGRANCES INC (US) 2006-11-22 EP disclosed