SCHEMBL28005449

SCHEMBL28005449

CC(S)CC(=O)O.CC(S)CC(=O)OCCOCCO

nearest known ligand 0.35

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
Triethylene Glycol SCHEMBL15380518 0.90 MEN1 (0.44) MEN1KMT2ATSHRMAPK1THRB
Di(Hydroxyethyl)Ether SCHEMBL607622 0.88 TSHR (0.42) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL31132439 0.86 ALDH1A1 (0.35) MEN1KMT2ATSHRTHRBMAPT
SCHEMBL98140 0.86 ALDH1A1 (0.35) MEN1KMT2ATSHRTHRBMAPT
SCHEMBL607398 0.86 ALDH1A1 (0.35) MEN1KMT2ATSHRTHRBMAPT
SCHEMBL100193 0.80 DGKA (0.37) MAPK1MAPT
SCHEMBL2528557 0.79 MEN1 (0.44) MEN1KMT2AEPHX2TSHRMAPK1
SCHEMBL11010334 0.79 MEN1 (0.44) MEN1KMT2AEPHX2TSHRMAPK1
SCHEMBL27568673 0.79 MEN1 (0.44) MEN1KMT2AEPHX2TSHRMAPK1
SCHEMBL5435196 0.78 MEN1 (0.39) MEN1KMT2AEPHX2TSHRMAPK1

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
CN-104583254-A Antifouling coating composition ASAHI GLASS CO LTD 2015-04-29 CN disclosed