SCHEMBL12565652

SCHEMBL12565652

O=C(COCC(=O)OCCO)OCCO

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MGLL Q99685 1/20 0.35
ACHE P22303 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 1/20 0.33
ADRA2A P08913 1/20 0.32
ADRA1A P35348 1/20 0.32
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
NAAA Q02083 1/20 0.30
CYP2C19 P33261 1/20 0.30
DGKA P23743 1/20 0.30

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
SCHEMBL2192211 0.92 TSHR (0.45) TSHRMAPK1MEN1KMT2AMGLL
SCHEMBL7122301 0.92 MEN1 (0.43) TSHRMAPK1MEN1KMT2AMGLL
SCHEMBL367297 0.91 TSHR (0.37) TSHRMAPK1MEN1KMT2AMGLL
SCHEMBL27978106 0.90 TSHR (0.43) TSHRMAPK1MEN1KMT2AMGLL
SCHEMBL28250371 0.90 TSHR (0.43) TSHRMAPK1MEN1KMT2AMGLL
SCHEMBL14521446 0.86 TSHR (0.45) TSHRMAPK1MEN1KMT2AMGLL
SCHEMBL2851913 0.85 ALDH1A1 (0.50) TSHRKMT2AMGLLACHETDP1
SCHEMBL4528968 0.82 MEN1 (0.52) TSHRMAPK1MEN1KMT2ATDP1
SCHEMBL3265777 0.82 TDP1 (0.36) TSHRMAPK1MEN1KMT2AMGLL
SCHEMBL8584649 0.80 TSHR (0.56) TSHRMEN1KMT2AMGLLACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110146516-A1 METHOD OF PREPARING LITHOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2011-06-23 US disclosed
US-20110017084-A1 IMMERSION TYPE AUTOMATIC DEVELOPING APPARATUS FOR LITHOGRAPHIC PRINTING PLATE AND AUTOMATIC DEVELOPING METHOD FUJIFILM CORPORATION (JP) 2011-01-27 US disclosed
US-20110020757-A1 METHOD OF PREPARING LITHOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2011-01-27 US disclosed