SCHEMBL8633848

SCHEMBL8633848

C=C(C)C(=O)OCC(O)CN(Cc1ccc(CN(CC(O)COCCCC)CC(O)COC(=O)C(=C)C)cc1)CC(O)COCCCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
CASR P41180 1/20 0.38
POLB P06746 4/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
MAPK1 P28482 1/20 0.35
USP2 O75604 2/20 0.35
ALOX15 P16050 1/20 0.35
NPC1 O15118 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL8431139 1.00 TSHR (0.40) TSHRCASRPOLBALDH1A1CYP1A2
SCHEMBL8429228 0.91 POLB (0.37) TSHRCASRPOLBALDH1A1CYP1A2
SCHEMBL8429322 0.91 POLB (0.37) TSHRCASRPOLBALDH1A1CYP1A2
SCHEMBL7021371 0.89 TSHR (0.45) TSHRPOLBALDH1A1CYP1A2CYP2D6
SCHEMBL7027108 0.87 TSHR (0.41) TSHRPOLBALDH1A1CYP1A2CYP2D6
SCHEMBL7024456 0.87 TSHR (0.41) TSHRPOLBALDH1A1CYP1A2CYP2D6
SCHEMBL7029242 0.87 TSHR (0.41) TSHRPOLBALDH1A1CYP1A2CYP2D6
SCHEMBL8433037 0.86 POLB (0.34) TSHRPOLBALDH1A1CYP1A2CYP2D6
SCHEMBL8638932 0.86 ALDH1A1 (0.40) TSHRPOLBALDH1A1CYP1A2CYP2D6
SCHEMBL8638937 0.86 POLB (0.34) TSHRPOLBALDH1A1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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