SCHEMBL6677700

SCHEMBL6677700

[CH2]C(C)COC(=O)CC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.44
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 2/20 0.37
EPHX1 P07099 1/20 0.37
HPGD P15428 1/20 0.37
POLB P06746 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
SCHEMBL5572124 0.98 L3MBTL1 (0.45) L3MBTL1ALDH1A1TDP1LMNAKMT2A
SCHEMBL1439290 0.86 L3MBTL1 (0.46) L3MBTL1ALDH1A1TDP1LMNAKMT2A
SCHEMBL1439757 0.84 L3MBTL1 (0.47) L3MBTL1ALDH1A1TDP1LMNAKMT2A
SCHEMBL11125921 0.80 L3MBTL1 (0.42) L3MBTL1ALDH1A1TDP1LMNAKMT2A
SCHEMBL17928311 0.77 L3MBTL1 (0.45) L3MBTL1ALDH1A1TDP1LMNAKMT2A
SCHEMBL1401342 0.77 L3MBTL1 (0.42) L3MBTL1ALDH1A1TDP1KMT2A
SCHEMBL25311355 0.76 TDP1 (0.50) L3MBTL1ALDH1A1TDP1LMNAKMT2A
SCHEMBL18797 0.76 TDP1 (0.50) L3MBTL1ALDH1A1TDP1LMNAKMT2A
SCHEMBL19926076 0.76 TSHR (0.41) L3MBTL1ALDH1A1TDP1LMNAKMT2A
SCHEMBL9134377 0.76 TDP1 (0.50) L3MBTL1ALDH1A1TDP1LMNAKMT2A

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-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