SCHEMBL7440960

SCHEMBL7440960

NCCCCC(=O)OC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LTA4H P09960 1/20 0.43
HTT P42858 1/20 0.42
ITGB3 P05106 4/20 0.41
ITGA2B P08514 4/20 0.41
LMNA P02545 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
SCHEMBL9359181 0.98 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL31709800 0.92 ALDH1A1 (0.55) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL28039282 0.91 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL4920576 0.87 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL24996860 0.86 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL9820016 0.86 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL5142251 0.86 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL3364814 0.86 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL1005760 0.86 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL24810919 0.86 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5919790-A ANTIINFLAMMATORY AGENT; THERAPY FOR STROKE, SEPTIC SHOCK;ALZHEIMER*S DISEASE WARNER-LAMBERT COMPANY (US) 1999-07-06 US disclosed