SCHEMBL7021371

SCHEMBL7021371

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.45
POLB P06746 5/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 4/20 0.37
MAPT P10636 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 2/20 0.34
MAPK1 P28482 1/20 0.34
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ABCB1 P08183 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
SCHEMBL7027108 0.95 TSHR (0.41) TSHRPOLBMEN1KMT2AALDH1A1
SCHEMBL7029242 0.95 TSHR (0.41) TSHRPOLBMEN1KMT2AALDH1A1
SCHEMBL7024456 0.95 TSHR (0.41) TSHRPOLBMEN1KMT2AALDH1A1
SCHEMBL7034449 0.89 TSHR (0.42) TSHRPOLBMEN1KMT2AALDH1A1
SCHEMBL8429142 0.89 POLB (0.59) TSHRPOLBMEN1KMT2AALDH1A1
SCHEMBL8633848 0.89 TSHR (0.40) TSHRPOLBMEN1KMT2AALDH1A1
SCHEMBL8431139 0.89 TSHR (0.40) TSHRPOLBMEN1KMT2AALDH1A1
SCHEMBL28559612 0.86 POLB (0.46) TSHRPOLBALDH1A1MAPTCYP1A2
SCHEMBL7031407 0.85 POLB (0.39) TSHRPOLBMEN1KMT2AALDH1A1
SCHEMBL7029895 0.85 POLB (0.39) TSHRPOLBMEN1KMT2AALDH1A1

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-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-0845708-A1 PLATE FOR WATERLESS LITHOGRAPHY TORAY INDUSTRIES, INC. (JP) 1998-06-03 EP disclosed