SCHEMBL8429322

SCHEMBL8429322

C=C(C)C(=O)OCC(O)CN(Cc1cccc(CN(CC(O)COC(=O)C(=C)C)CC(O)COC(=O)C(=C)C)c1)CC(O)COCCCC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.37
TSHR P16473 5/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP2D6 P10635 2/20 0.36
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RECQL P46063 1/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CASR P41180 1/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEP1B Q16820 1/20 0.33

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
SCHEMBL8429228 1.00 POLB (0.37) POLBTSHRALDH1A1CYP2D6MAPT
SCHEMBL8431139 0.91 TSHR (0.40) POLBTSHRALDH1A1CYP2D6MAPT
SCHEMBL8633848 0.91 TSHR (0.40) POLBTSHRALDH1A1CYP2D6MAPT
SCHEMBL7034449 0.90 TSHR (0.42) POLBTSHRALDH1A1CYP2D6MAPT
SCHEMBL7029230 0.88 POLB (0.39) POLBTSHRALDH1A1CYP2D6MAPT
SCHEMBL7031407 0.88 POLB (0.39) POLBTSHRALDH1A1CYP2D6MAPT
SCHEMBL7029895 0.88 POLB (0.39) POLBTSHRALDH1A1CYP2D6MAPT
SCHEMBL8431716 0.87 POLB (0.34) POLBTSHRALDH1A1CYP2D6MAPT
SCHEMBL8429181 0.87 POLB (0.34) POLBTSHRALDH1A1CYP2D6MAPT
SCHEMBL8431714 0.87 ALDH1A1 (0.40) POLBTSHRALDH1A1CYP2D6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672950-B1 WATERLESS LITHOGRAPHIC PLATE TORAY INDUSTRIES (JP) 1999-11-24 EP disclosed
US-5811210-A PHOTOSENSITIVE LAYER AND SILICONE RUBBER LAYER LAMINATED IN ORDER ONTO A SUBSTRATE; PEEL BONDING STRENGTH AND ELASTIC MODULUS; FOR WEB OFFSET AND NEWSPAPER OFFSET PRINTING DURABILITY TORAY INDUSTRIES, INC. (JP) 1998-09-22 US disclosed
EP-0583860-B1 Dry planographic printing plate TORAY INDUSTRIES (JP) 1998-07-22 EP disclosed
EP-0672950-A1 WATERLESS LITHOGRAPHIC PLATE TORAY INDUSTRIES, INC. (JP) 1995-09-20 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