SCHEMBL24095952

SCHEMBL24095952

CCCCCCOC(=O)NCC=O

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.62
EPHX1 P07099 1/20 0.59
EPHX2 P34913 2/20 0.51
NAAA Q02083 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL345235 0.93 ACHE (0.56) ACHEEPHX1
SCHEMBL14959695 0.85 ACHE (0.48) ACHESMN1; SMN2
SCHEMBL11338236 0.84 ACHE (0.61) ACHEEPHX1EPHX2
SCHEMBL20839538 0.84 ACHE (0.61) ACHEEPHX1EPHX2
SCHEMBL29939 0.82 ACHE (0.58) ACHEEPHX1EPHX2
SCHEMBL28075463 0.81 ACHE (0.71) ACHEEPHX1NAAANPC1RAB9A
SCHEMBL5545156 0.81 ACHE (0.71) ACHEEPHX1NAAANPC1RAB9A
SCHEMBL11493296 0.81 ACHE (0.71) ACHEEPHX1NAAANPC1RAB9A
SCHEMBL10813916 0.81 ACHE (0.71) ACHEEPHX1NAAANPC1RAB9A
SCHEMBL7349927 0.80 ACHE (0.70) ACHEEPHX1EPHX2

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-2021252640-A1 ASPARAGINE DERIVATIVES AND METHODS OF USING SAME SENDA BIOSCIENCES, INC. (US) 2021-12-16 WO disclosed