SCHEMBL6259100

SCHEMBL6259100

CC=CCOc1ccc(C(=O)OC)cc1C=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
ERN1 O75460 6/20 0.44
MAPT P10636 4/20 0.42
KDM4E B2RXH2 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
XDH P47989 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
RAB9A P51151 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL28857562 0.85 KDM4E (0.51) ALDH1A1ERN1MAPTKDM4EKMT2A
SCHEMBL10068764 0.83 CREBBP (0.50) ALDH1A1ERN1MAPTKDM4EKMT2A
SCHEMBL16744293 0.82 NOTUM (0.47) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL16742176 0.82 NOTUM (0.47) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL31084750 0.79 ERN1 (0.58) ALDH1A1ERN1MAPTKDM4EKMT2A
SCHEMBL310021 0.79 ERN1 (0.58) ALDH1A1ERN1MAPTKDM4EKMT2A
SCHEMBL24570242 0.78 ERN1 (0.44) ALDH1A1ERN1MAPTKDM4EKMT2A
SCHEMBL28340292 0.78 ALDH1A1 (0.45) ALDH1A1ERN1MAPTKDM4EKMT2A
SCHEMBL14799033 0.77 PDE4B (0.48) ALDH1A1ERN1MAPTKDM4EKMT2A
SCHEMBL551218 0.77 LMNA (0.56) ALDH1A1ERN1MAPTKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1587511-A2 TREATMENT OF DISEASES WITH ALPHA-7 NACH RECEPTOR FULL AGONISTS Pharmacia & Upjohn Company LLC (US) 2005-10-26 EP disclosed
EP-1572300-A1 COMBINATION FOR THE TREATMENT OF ADHD Pharmacia & Upjohn Company LLC (US) 2005-09-14 EP disclosed
WO-2004064836-A2 TREATMENT OF DISEASES WITH ALPHA-7 NACH RECEPTOR FULL AGONISTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-08-05 WO disclosed
EP-1442037-A1 AZABICYCLIC-PHENYL-FUSED-HETEROCYCLIC COMPOUNDS AND THEIR USE AS ALPHA7 NACHR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2004-08-04 EP disclosed
WO-2004052461-A1 COMBINATION FOR THE TREATMENT OF ADHD PHARMACIA & UPJOHN COMPANY LLC (US) 2004-06-24 WO disclosed
WO-2004039366-A1 NICOTINIC ACETYLCHOLINE AGONISTS IN THE TREATMENT OF GLAUCOMA AND RETINAL NEUROPATHY PHARMACIA & UPJOHN COMPANY LLC (US) 2004-05-13 WO disclosed
WO-2003042210-A1 AZABICYCLIC-PHENYL-FUSED-HETEROCYCLIC COMPOUNDS AND THEIR USE AS ALPHA7 NACHR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2003-05-22 WO disclosed