SCHEMBL5317831

SCHEMBL5317831

CCNC(=O)C(OC(=O)CCn1c2ccccc2c2ccc(OCCCCOc3cccc(NC(C)=O)c3)cc21)n1c2ccccc2c2ccc(OCCCCOc3cccc(C)c3)cc21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
TP53 P04637 1/20 0.42
PSEN1 P49768 8/20 0.40
PSEN2 P49810 8/20 0.40
APH1B Q8WW43 8/20 0.40
NCSTN Q92542 8/20 0.40
APH1A Q96BI3 8/20 0.40
PSENEN Q9NZ42 8/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
BRD4 O60885 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL5317028 0.85 PSEN1 (0.52) MAPTTP53PSEN1PSEN2APH1B
SCHEMBL5317829 0.82 MAPT (0.46) MAPTTP53PSEN1PSEN2APH1B
SCHEMBL5149501 0.82 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5149421 0.78 PSEN1 (0.52) MAPTPSEN1PSEN2APH1BNCSTN
SCHEMBL5151356 0.76 PSEN1 (0.61) MAPTTP53PSEN1PSEN2APH1B
SCHEMBL5317894 0.74 LMNA (0.45) MAPTPSEN1PSEN2APH1BNCSTN
SCHEMBL5151224 0.73 HCRTR1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5149338 0.73 SMN1; SMN2 (0.50) MAPTPSEN1PSEN2APH1BNCSTN
SCHEMBL5151161 0.73 MAPT (0.52) MAPTTP53PSEN1PSEN2APH1B
SCHEMBL5149628 0.72 PSEN1 (0.50) MAPTPSEN1PSEN2APH1BNCSTN

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
WO-2007071456-A1 FLUORENES AND CARBAZOLES AS LIGANDS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-06-28 WO claimed