SCHEMBL11029486

SCHEMBL11029486

CCCCCC(=O)NNC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.58
FAAH O00519 6/20 0.56
KDM4E B2RXH2 2/20 0.54
KDM5C P41229 1/20 0.54
EGLN1 Q9GZT9 1/20 0.54
PHF8 Q9UPP1 1/20 0.54
KDM2A Q9Y2K7 1/20 0.54
KMT2A Q03164 4/20 0.53
MAPT P10636 3/20 0.53
MEN1 O00255 3/20 0.52
MAPK1 P28482 1/20 0.52
CES2 O00748 4/20 0.50
CES1 P23141 4/20 0.50
ALDH1A1 P00352 2/20 0.48
AKR1B1 P15121 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
GPR84 Q9NQS5 2/20 0.46
PPARG P37231 2/20 0.46
PPARD Q03181 2/20 0.46
PPARA Q07869 2/20 0.46

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
SCHEMBL24657787 0.98 HSP90AA1 (0.61) HSP90AA1FAAHKDM4EKDM5CEGLN1
SCHEMBL13568685 0.98 HSP90AA1 (0.61) HSP90AA1FAAHKDM4EKDM5CEGLN1
SCHEMBL29040279 0.98 HSP90AA1 (0.61) HSP90AA1FAAHKDM4EKDM5CEGLN1
SCHEMBL24658011 0.98 HSP90AA1 (0.61) HSP90AA1FAAHKDM4EKDM5CEGLN1
SCHEMBL11027904 0.93
SCHEMBL6124941 0.90 KDM4E (0.64) HSP90AA1FAAHKDM4EKDM5CEGLN1
SCHEMBL29379925 0.87 HSP90AA1 (0.65) HSP90AA1FAAHKDM4EKMT2AMAPT
SCHEMBL6470717 0.85 HSP90AA1 (0.70) HSP90AA1FAAHKDM4EKMT2AMAPT
SCHEMBL22960696 0.85 HSP90AA1 (0.70) HSP90AA1FAAHKDM4EKMT2AMAPT
SCHEMBL7108790 0.85 HSP90AA1 (0.70) HSP90AA1FAAHKDM4EKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0126088-A1 ARYL SUBSTITUTED 7-OXABICYCLOHEPTANE COMPOUNDS E.R. SQUIBB & SONS, INC. (US) 1984-11-28 EP disclosed
US-4463015-A Aryl substituted 7-oxabicycloheptane compounds, useful in inhibiting platelet aggregation E. R. SQUIBB & SONS, INC. (US) 1984-07-31 US disclosed
WO-1984000754-A1 ARYL SUBSTITUTED 7-OXABICYCLOHEPTANE COMPOUNDS SQUIBB & SONS INC (US) 1984-03-01 WO disclosed
US-4418076-A 7-Oxabicycloheptane hydrazone prostaglandin analogs useful in treating thrombolytic diseases E. R. SQUIBB & SONS, INC. (US) 1983-11-29 US disclosed