SCHEMBL4716254

SCHEMBL4716254

COc1ccc(P(C(=O)c2c(OC)cccc2OC)C(=O)c2c(OC)cccc2OC)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
KMT2A Q03164 3/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 3/20 0.39
ATM Q13315 1/20 0.39
AURKA O14965 1/20 0.39
TP53 P04637 2/20 0.38
TSHR P16473 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL3790325 0.84 CA12 (0.47) MAPTCA12CA1CA2CA7
SCHEMBL4624419 0.82 ALDH1A1 (0.40) KMT2AGAAMEN1ALDH1A1TSHR
SCHEMBL22492932 0.78 CA12 (0.45) MAPTCA12CA1CA2CA7
SCHEMBL19180233 0.77 NPC1 (0.43) MAPTCA12CA1CA2CA7
SCHEMBL20484283 0.75 CA12 (0.47) MAPTCA12CA1CA2CA7
SCHEMBL4624586 0.73 MAPT (0.39) MAPTCA12CA1CA2CA7
SCHEMBL4623708 0.71 THRA (0.48) MAPTKMT2AMEN1
SCHEMBL17923177 0.71 ABCB1 (0.45) MAPTCA12CA1CA2CA7
SCHEMBL4708242 0.70 MAPT (0.50) MAPTCA12CA1CA2CA7
SCHEMBL7180005 0.70 MAPT (0.47) MAPTCA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1215044-B1 A laser engravable flexographic printing element and a method for forming a printing plate from the element DU PONT (US) 2008-05-21 EP claimed