SCHEMBL8637237

SCHEMBL8637237

C=C(C)C(=O)OCC(O)CN(Cc1ccccc1CN(CC(O)COC(=O)C(=C)C)CC(O)COC(=O)C(=C)C)CC(O)COC

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
LMNA P02545 2/20 0.37
POLB P06746 3/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 2/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
ABCB1 P08183 3/20 0.34
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 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
SCHEMBL7024456 0.87 TSHR (0.41) TSHRLMNAPOLBMAPTGAA
SCHEMBL7029242 0.87 TSHR (0.41) TSHRLMNAPOLBMAPTGAA
SCHEMBL7027108 0.87 TSHR (0.41) TSHRLMNAPOLBMAPTGAA
SCHEMBL7029230 0.85 POLB (0.39) TSHRLMNAPOLBMAPTMEN1
SCHEMBL7031407 0.85 POLB (0.39) TSHRLMNAPOLBMAPTMEN1
SCHEMBL7029895 0.85 POLB (0.39) TSHRLMNAPOLBMAPTMEN1
SCHEMBL7021371 0.81 TSHR (0.45) TSHRLMNAPOLBMAPTGAA
SCHEMBL7034449 0.80 TSHR (0.42) TSHRLMNAPOLBMAPTGAA
SCHEMBL29009582 0.78 TSHR (0.57) TSHRLMNAPOLBMAPTGAA
SCHEMBL8429142 0.77 POLB (0.59) TSHRPOLBMAPTGAAMEN1

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
EP-0583860-B1 Dry planographic printing plate TORAY INDUSTRIES (JP) 1998-07-22 EP disclosed
US-5397681-A Laminate used for the production of a dry planographic printing plate TORAY INDUSTRIES, INC. (JP) 1995-03-14 US disclosed
EP-0583860-A2 Dry planographic printing plate TORAY INDUSTRIES, INC. (JP) 1994-02-23 EP disclosed