SCHEMBL28011925

SCHEMBL28011925

OCCOCC(O)CO.[NaH]

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.54
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.40
THRB P10828 1/20 0.39
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 2/20 0.35
AGTR1 P30556 1/20 0.35
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
DUSP3 P51452 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
SCHEMBL269833 0.97
SCHEMBL7697770 0.97
Ethylene Glycol SCHEMBL27538538 0.95 USP2 (0.54) USP2TSHRMAPK1MEN1KMT2A
Hydrochloric Acid SCHEMBL28194872 0.95 USP2 (0.54) USP2TSHRMAPK1MEN1KMT2A
SCHEMBL541678 0.92 MEN1 (0.55) USP2TSHRMAPK1MEN1KMT2A
SCHEMBL5713071 0.92 MEN1 (0.55) USP2TSHRMAPK1MEN1KMT2A
SCHEMBL27620890 0.92 MEN1 (0.55) USP2TSHRMAPK1MEN1KMT2A
SCHEMBL11352485 0.92 MEN1 (0.55) USP2TSHRMAPK1MEN1KMT2A
SCHEMBL12050435 0.92 MEN1 (0.55) USP2TSHRMAPK1MEN1KMT2A
SCHEMBL867745 0.92 MEN1 (0.55) USP2TSHRMAPK1MEN1KMT2A

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-104557789-A Tertiary alkynediol glycidyl ether and derivatives thereof CHONGQING ACME TECH CO LTD 2015-04-29 CN disclosed