SCHEMBL19993350

SCHEMBL19993350

C=C(NCCCC)C(CC(C)C)NC

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.37
BCHE P06276 1/20 0.37
CACNA1B Q00975 2/20 0.36
ACHE P22303 7/20 0.35
EPHX1 P07099 3/20 0.35
PLA2G2A P14555 2/20 0.33
PLA2G5 P39877 2/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
PLA2G10 O15496 1/20 0.33

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
SCHEMBL10046706 0.79 CACNA1B (0.55) MMP8BCHECACNA1BACHEEPHX1
SCHEMBL21574176 0.77 EPHX1 (0.34) MMP8CACNA1BEPHX1
SCHEMBL25596973 0.76 EPHX1 (0.40) MMP8EPHX1PLA2G10
SCHEMBL19200596 0.74 EPHX1 (0.41) ACHEEPHX1
SCHEMBL12878807 0.71 EPHX1 (0.39) ACHEEPHX1
SCHEMBL25678165 0.70 CYP2D6 (0.34) MMP8EPHX1
SCHEMBL20322090 0.69 EPHX1 (0.47) MMP8EPHX1
SCHEMBL21664578 0.68 EPHX1 (0.32) EPHX1
SCHEMBL18973380 0.68 ALDH1A1 (0.40) MMP8CACNA1B
SCHEMBL10161455 0.68 ALDH1A1 (0.40) MMP8CACNA1B

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-3296295-A1 COMPOSITIONS AND METHODS FOR TREATING BETA-AMYLOID RELATED DISEASES American Life Science Pharmaceuticals, Inc. (US) 2018-03-21 EP disclosed