SCHEMBL9246161

SCHEMBL9246161

CN(C)CCC1CCCN1CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
S1PR1 P21453 2/20 0.35
S1PR3 Q99500 2/20 0.35
S1PR5 Q9H228 2/20 0.35
S1PR4 O95977 1/20 0.35
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
OPRD1 P41143 1/20 0.33
ACE P12821 2/20 0.33
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.32
FFAR1 O14842 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL9245124 0.84 ALDH1A1 (0.38) LTA4HALDH1A1HTTL3MBTL1S1PR1
SCHEMBL20585525 0.81 S1PR1 (0.43) LTA4HALDH1A1HTTL3MBTL1S1PR1
SCHEMBL10508128 0.79 LTA4H (0.44) LTA4HOPRD1ALOX15KMT2A
SCHEMBL499847 0.78 MEN1 (0.44) LTA4HALDH1A1HTTL3MBTL1RAB9A
SCHEMBL15925112 0.77 LTA4H (0.39) LTA4HALDH1A1HTTL3MBTL1S1PR1
SCHEMBL9149197 0.76 S1PR1 (0.58) ALDH1A1L3MBTL1S1PR1S1PR3S1PR5
SCHEMBL7763371 0.75 POLB (0.52) LTA4HALDH1A1L3MBTL1OPRD1ACE
SCHEMBL9248848 0.74 CYP1A2 (0.49) LTA4HALDH1A1L3MBTL1S1PR1S1PR3
SCHEMBL10566949 0.74 TSHR (0.43) ALDH1A1HTTL3MBTL1S1PR1S1PR3
SCHEMBL9973631 0.73 L3MBTL1 (0.40) LTA4HALDH1A1HTTL3MBTL1RAB9A

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
EP-0527427-B1 Catalysts and casting article, method, and composition MINNESOTA MINING & MFG (US) 1995-11-15 EP claimed