SCHEMBL7031407

SCHEMBL7031407

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)COC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.39
TSHR P16473 4/20 0.39
ALDH1A1 P00352 2/20 0.39
RECQL P46063 1/20 0.39
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL7029895 1.00 POLB (0.39) POLBTSHRALDH1A1RECQLNPC1
SCHEMBL7029230 1.00 POLB (0.39) POLBTSHRALDH1A1RECQLNPC1
SCHEMBL7034449 0.95 TSHR (0.42) POLBTSHRALDH1A1RECQLNPC1
SCHEMBL7024456 0.90 TSHR (0.41) POLBTSHRALDH1A1NPC1CYP1A2
SCHEMBL7027108 0.90 TSHR (0.41) POLBTSHRALDH1A1NPC1CYP1A2
SCHEMBL7029242 0.90 TSHR (0.41) POLBTSHRALDH1A1NPC1CYP1A2
SCHEMBL8429322 0.88 POLB (0.37) POLBTSHRALDH1A1RECQLNPC1
SCHEMBL8635784 0.86 POLB (0.56) POLBTSHRALDH1A1CYP1A2CYP2D6
SCHEMBL8637237 0.85 TSHR (0.39) POLBTSHRNPC1CYP1A2MAPT
SCHEMBL7021371 0.85 TSHR (0.45) POLBTSHRALDH1A1NPC1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0845708-B1 PLATE FOR WATERLESS LITHOGRAPHY TORAY INDUSTRIES (JP) 2003-02-12 EP disclosed
US-6106997-A PRINTING DURABILITY, IMAGE REPRODUCIBILITY AND STORAGE STABILITY TORAY INDUSTRIES, INC. (JP) 2000-08-22 US disclosed
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-0845708-A1 PLATE FOR WATERLESS LITHOGRAPHY TORAY INDUSTRIES, INC. (JP) 1998-06-03 EP disclosed
EP-0672950-A1 WATERLESS LITHOGRAPHIC PLATE TORAY INDUSTRIES, INC. (JP) 1995-09-20 EP disclosed
EP-0583860-A2 Dry planographic printing plate TORAY INDUSTRIES, INC. (JP) 1994-02-23 EP disclosed