SCHEMBL5572124

SCHEMBL5572124

[CH2]C(C)COC(=O)CC1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.45
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
EPHX1 P07099 1/20 0.34

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
SCHEMBL6677700 0.98 L3MBTL1 (0.44) L3MBTL1ALDH1A1KMT2ATDP1LMNA
SCHEMBL1439757 0.85 L3MBTL1 (0.47) L3MBTL1ALDH1A1KMT2AMEN1GAA
SCHEMBL1439290 0.84 L3MBTL1 (0.46) L3MBTL1ALDH1A1KMT2ATDP1LMNA
SCHEMBL11125921 0.78 L3MBTL1 (0.42) L3MBTL1ALDH1A1KMT2ATDP1LMNA
SCHEMBL1401342 0.78 L3MBTL1 (0.42) L3MBTL1ALDH1A1KMT2AMEN1GAA
SCHEMBL19926076 0.77 TSHR (0.41) L3MBTL1ALDH1A1KMT2AMEN1TDP1
SCHEMBL17928311 0.75 L3MBTL1 (0.45) L3MBTL1ALDH1A1KMT2ATDP1LMNA
SCHEMBL696377 0.75 L3MBTL1 (0.43) L3MBTL1ALDH1A1KMT2AMEN1GAA
SCHEMBL1439129 0.75 TDP1 (0.48) L3MBTL1ALDH1A1KMT2AMEN1GAA
SCHEMBL26311283 0.74 L3MBTL1 (0.38) L3MBTL1ALDH1A1KMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1848426-A2 TRICYCLIC CYTOPROTECTIVE COMPOUNDS Hunter-Fleming Limited (GB) 2007-10-31 EP disclosed
WO-2006082409-A2 TRICYCLIC CYTOPROTECTIVE COMPOUNDS HUNTER-FLEMING LIMITED (GB) 2006-08-10 WO disclosed
EP-1471901-A1 SPERMIDINE DERIVATIVES FOR THE TREATMENT OF CHRONIC NEURODEGENERATIVE DISEASES UNIVERSITY OF SOUTHAMPTON (GB) 2004-11-03 EP disclosed
WO-2003066037-A1 SPERMIDINE DERIVATIVES FOR THE TREATMENT OF CHRONIC NEURODEGENERATIVE DISEASES UNIVERSITY OF SOUTHAMPTON (GB) 2003-08-14 WO disclosed
EP-1040096-A1 NEUROPROTECTIVE AGENTS THE UNIVERSITY OF SOUTHAMPTON (GB) 2000-10-04 EP disclosed
WO-1999031049-A1 NEUROPROTECTIVE AGENTS UNIVERSITY OF SOUTHAMPTON (GB) 1999-06-24 WO disclosed