SCHEMBL8429142

SCHEMBL8429142

C=C(C)C(=O)OCC(O)CN(Cc1ccc(CN(CC(O)COC(=O)C(=C)C)CC(O)COc2ccccc2)cc1)CC(O)COc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.59
ALDH1A1 P00352 4/20 0.50
MAPT P10636 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GAA P10253 2/20 0.48
MAPK1 P28482 1/20 0.48
TSHR P16473 2/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KCNH2 Q12809 1/20 0.43
ABCB1 P08183 3/20 0.43

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
SCHEMBL8635784 0.92 POLB (0.56) POLBALDH1A1MAPTCYP1A2CYP2D6
SCHEMBL7021371 0.89 TSHR (0.45) POLBALDH1A1MAPTCYP1A2CYP2D6
SCHEMBL219561 0.85 MAPT (0.51) POLBMAPTCYP1A2CYP2D6NPSR1
SCHEMBL7029242 0.84 TSHR (0.41) POLBALDH1A1MAPTCYP1A2CYP2D6
SCHEMBL7027108 0.84 TSHR (0.41) POLBALDH1A1MAPTCYP1A2CYP2D6
SCHEMBL7024456 0.84 TSHR (0.41) POLBALDH1A1MAPTCYP1A2CYP2D6
SCHEMBL28559612 0.83 POLB (0.46) POLBALDH1A1MAPTCYP1A2CYP2D6
SCHEMBL7034449 0.82 TSHR (0.42) POLBALDH1A1MAPTCYP1A2CYP2D6
SCHEMBL11052821 0.80 POLB (0.50) POLBMAPTCYP1A2CYP2D6NPSR1
SCHEMBL2720963 0.80 TSHR (0.47) POLBMAPTCYP2D6NPSR1MAPK1

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