SCHEMBL5317890

SCHEMBL5317890

CC(=O)Nc1cccc(OCCCCOc2ccc3c4ccccc4n(CCC(=O)O)c3c2)c1.COc1cc(O)cc(OCCCCOc2ccc3c4ccccc4n(CCC(=O)O)c3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 3/20 0.46
BRD4 O60885 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
PSEN1 P49768 5/20 0.44
PSEN2 P49810 5/20 0.44
APH1B Q8WW43 5/20 0.44
NCSTN Q92542 5/20 0.44
APH1A Q96BI3 5/20 0.44
PSENEN Q9NZ42 5/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK1 P28482 1/20 0.42
DYRK1A Q13627 1/20 0.41
FABP3 P05413 1/20 0.41

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
SCHEMBL5317894 0.93 LMNA (0.45) SMN1; SMN2LMNABRD4GAAHTT
SCHEMBL5149421 0.91 PSEN1 (0.52) SMN1; SMN2LMNABRD4GAAHTT
SCHEMBL5152270 0.90 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5156736 0.86 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5152373 0.85 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5149603 0.84 LMNA (0.54) LMNAHTTPSEN1PSEN2APH1B
SCHEMBL5149338 0.82 SMN1; SMN2 (0.50) SMN1; SMN2LMNAPSEN1PSEN2APH1B
SCHEMBL5152327 0.82 FABP4 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5149628 0.81 PSEN1 (0.50) SMN1; SMN2LMNAPSEN1PSEN2APH1B
SCHEMBL5149501 0.81 PSEN1 (0.55) SMN1; SMN2LMNABRD4GAAHTT

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