SCHEMBL7159583

SCHEMBL7159583

CCOP(C)(=O)OCCN(C(C)C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PKM P14618 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL23866450 0.80 TSHR (0.37) TSHRTP53TDP1
SCHEMBL27692514 0.78 TSHR (0.41) TSHRMEN1KMT2ATP53TDP1
SCHEMBL2784094 0.77 MEN1 (0.32) MEN1KMT2A
SCHEMBL175957 0.77 MEN1 (0.32) MEN1KMT2A
SCHEMBL27988569 0.77 PPARD (0.41) TSHRMEN1KMT2A
SCHEMBL3988371 0.76 MEN1 (0.34) CHRNB2CHRNA4MEN1KMT2ACHRM2
SCHEMBL4454861 0.76 MEN1 (0.34) CHRNB2CHRNA4MEN1KMT2ACHRM2
SCHEMBL28992248 0.74 MEN1 (0.36) CHRNB2CHRNA4MEN1KMT2ACHRM2
SCHEMBL27256342 0.74 LPAR3 (0.42) MEN1KMT2ACHRM2CHRM1CHRM3
SCHEMBL281924 0.73

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
WO-2024073802-A1 METHOD OF DETECTION THE UNIVERSITY OF QUEENSLAND (AU) 2024-04-11 WO disclosed
US-6537382-B1 Contacting surfaces exposed to chemical warfare agent with a reactive sorbent comprising silver-exchanged zeolite THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY 2003-03-25 US disclosed