SCHEMBL20195755

SCHEMBL20195755

C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc4cc(OC(O)C=C)ccc4c3)c(OC)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
KMT2A Q03164 4/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA9 Q16790 1/20 0.39
MEN1 O00255 3/20 0.38
CYP3A4 P08684 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PLA2G4B P0C869 1/20 0.36
LTB4R Q15722 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ADRB2 P07550 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
CYP2D6 P10635 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD2 P14416 1/20 0.36

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
SCHEMBL20195763 0.95 MAPT (0.44) MAPTKMT2ACA12CA1CA2
SCHEMBL816053 0.93 MAPT (0.47) MAPTKMT2ACA12CA1CA2
SCHEMBL815927 0.90 MAPT (0.45) MAPTKMT2ACA12CA1CA2
SCHEMBL20195762 0.90 NPC1 (0.36) MAPTKMT2AMEN1CYP3A4CYP2D6
SCHEMBL815896 0.88 MAPT (0.49) MAPTKMT2ACA12CA1CA2
SCHEMBL24086194 0.87 MAPT (0.52) MAPTKMT2ACA12CA1CA2
SCHEMBL815808 0.87 MAPT (0.46) MAPTKMT2ACA12CA1CA2
SCHEMBL19982370 0.85 KMT2A (0.52) MAPTKMT2ACA12CA1CA2
SCHEMBL16425816 0.84 KMT2A (0.53) MAPTKMT2ACA12CA1CA2
SCHEMBL19982368 0.84 KMT2A (0.53) MAPTKMT2ACA12CA1CA2

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-2261201-B1 TRIFUNCTIONAL (METH)ACRYLATE COMPOUND AND POLYMERIZABLE COMPOSITION CONTAINING THE COMPOUND DAINIPPON INK & CHEMICALS (JP) 2018-05-30 EP disclosed