SCHEMBL13504697

SCHEMBL13504697

CC(CC(=O)OCCOCCOCCOCCOCCOCCO)CC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
EPHX2 P34913 1/20 0.33
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 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
SCHEMBL13504690 1.00 MEN1 (0.35) MEN1KMT2AEPHX2TSHRMAPK1
SCHEMBL13504628 1.00 MEN1 (0.35) MEN1KMT2AEPHX2TSHRMAPK1
SCHEMBL13504694 1.00 MEN1 (0.35) MEN1KMT2AEPHX2TSHRMAPK1
SCHEMBL13504698 1.00 MEN1 (0.35) MEN1KMT2AEPHX2TSHRMAPK1
SCHEMBL13504788 1.00 MEN1 (0.35) MEN1KMT2AEPHX2TSHRMAPK1
SCHEMBL13504661 1.00 MEN1 (0.35) MEN1KMT2AEPHX2TSHRMAPK1
SCHEMBL13504682 1.00 MEN1 (0.35) MEN1KMT2AEPHX2TSHRMAPK1
SCHEMBL3068386 0.90 ALDH1A1 (0.32) TSHR
SCHEMBL4396648 0.86 ALDH1A1 (0.31) TSHR
SCHEMBL27753680 0.85 THRB (0.32) THRB

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-2150247-B1 POLYETHYLENE GLYCOL ESTERS AND COSMETIC AND/OR DERMATOLOGICAL PREPARATIONS SYMRISE AG (DE) 2012-10-31 EP disclosed