SCHEMBL11489338

SCHEMBL11489338

CC(O)(CCN1CCCC1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.55
SLC6A4 P31645 2/20 0.54
SLC6A3 Q01959 2/20 0.54
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
LMNA P02545 2/20 0.52
CHRM2 P08172 2/20 0.52
CYP2D6 P10635 2/20 0.52
CHRM1 P11229 2/20 0.52
KCNH2 Q12809 2/20 0.52
HTR1A P08908 1/20 0.52
OPRM1 P35372 1/20 0.52
HRH3 Q9Y5N1 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
PSMB1 P20618 1/20 0.51
PSMB5 P28074 1/20 0.51
PSMB2 P49721 1/20 0.51
HTT P42858 1/20 0.50
GRIN2D O15399 1/20 0.49

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
SCHEMBL11487164 0.99 ALDH1A1 (0.55) LTA4HSLC6A4SLC6A3ALDH1A1SMN1; SMN2
SCHEMBL11495711 0.99 ALDH1A1 (0.55) LTA4HSLC6A4SLC6A3ALDH1A1SMN1; SMN2
SCHEMBL11488495 0.89 ALDH1A1 (0.53) LTA4HSLC6A4SLC6A3ALDH1A1SMN1; SMN2
SCHEMBL11495695 0.88 ALDH1A1 (0.68) SLC6A4SLC6A3ALDH1A1SMN1; SMN2LMNA
SCHEMBL11488186 0.88 LTA4H (0.56) LTA4HSLC6A4SLC6A3ALDH1A1SMN1; SMN2
SCHEMBL11487323 0.88 LTA4H (0.56) LTA4HSLC6A4SLC6A3ALDH1A1LMNA
SCHEMBL11487286 0.88 LTA4H (0.56) LTA4HSLC6A4SLC6A3ALDH1A1LMNA
SCHEMBL11493174 0.87 KCNA3 (0.50) SLC6A4SLC6A3ALDH1A1HRH3MEN1
SCHEMBL11493248 0.86 LTA4H (0.55) LTA4HALDH1A1SMN1; SMN2LMNAHRH3
SCHEMBL11487622 0.86 LTA4H (0.55) LTA4HSLC6A4SLC6A3ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4239759-A Morpholino containing compounds, compositions and use thereof MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1980-12-16 US disclosed
US-4110447-A Anti-inflammatory (halo-4-biphenylyl)-alkanolamines MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1978-08-29 US disclosed