SCHEMBL6274565

SCHEMBL6274565

C=C(Cc1cnco1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 16/20 0.36
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL27975846 0.79
SCHEMBL27873946 0.73
SCHEMBL27515498 0.69 ALDH1A1 (0.40) NAMPT
SCHEMBL2788840 0.68 ALDH1A1 (0.44)
SCHEMBL13851668 0.67 HDAC3 (0.41)
SCHEMBL5266610 0.66
SCHEMBL14677502 0.66 NAMPT (0.45) NAMPT
SCHEMBL30402907 0.64 TET2 (0.31)
SCHEMBL17803466 0.64 LMNA (0.32)
SCHEMBL28212009 0.64 NAMPT (0.38) NAMPT

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
WO-2005115148-A1 3-ARYL-3-HYDROXY-2-METHYLENEPROPIONIC ACID ESTERS AS FUNGICIDES CROPSOLUTION, INC. (US) 2005-12-08 WO disclosed