SCHEMBL7249559

SCHEMBL7249559

c1ccc(CCC[SiH](CCCc2ccccc2)C2CCCCO2)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MGLL Q99685 1/20 0.39
SLC18A3 Q16572 1/20 0.38
EPHX2 P34913 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
EPHX1 P07099 1/20 0.37

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
SCHEMBL2240777 0.85 SLC18A3 (0.39) MEN1KMT2AMGLLSLC18A3
SCHEMBL4355747 0.81 EPHX2 (0.36) MGLLEPHX2EPHX1
SCHEMBL16499606 0.80 MAOA (0.33) SIGMAR1
SCHEMBL8041595 0.79 RAB9A (0.36) MGLLSLC18A3
SCHEMBL6432221 0.75 MGLL (0.34) MEN1KMT2AMGLL
SCHEMBL8602242 0.73 SMN1; SMN2 (0.38) MEN1KMT2AMGLL
SCHEMBL23294742 0.72 ALDH1A1 (0.35) MGLL
SCHEMBL16684620 0.72 SLC6A3 (0.34) MGLLSLC18A3
SCHEMBL5016154 0.72 ALDH1A1 (0.37) MEN1KMT2AMGLLEPHX2
SCHEMBL20535408 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6630560-B2 Containing aryl groups subsituted with halo and alcohol groups; used as absorbers of hydrogen bond basic analytes such as organophosphonate esters (nerve agents and precursors) and nitro-substituted compounds (explosives). THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY 2003-10-07 US disclosed
US-20020026026-A1 Linear and branched chemoselective siloxane polymers and methods for use in analytical and purification applications NAVY, THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE 2002-02-28 US disclosed
WO-2002008314-A1 LINEAR CHEMOSELECTIVE POLYSILOXANES FOR CHEMICAL SENSOR APPLICATIONS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2002-01-31 WO disclosed