SCHEMBL21982980

SCHEMBL21982980

C[Si](C)(CCCN1C(=O)C=CC1=O)O[Si](C)(C)CCCN1C(=O)C=CC1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 8/20 0.39
FAAH O00519 5/20 0.39
HSP90AA1 P07900 2/20 0.38
TLR9 Q9NR96 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
XBP1 P17861 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GPR35 Q9HC97 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
PTGS1 P23219 7/20 0.36

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
SCHEMBL19401650 0.83 MGLL (0.57) MGLLFAAHHSP90AA1TLR9ALDH1A1
SCHEMBL21766255 0.83 MGLL (0.52) MGLLFAAHHSP90AA1TLR9ALDH1A1
SCHEMBL15483457 0.83 MGLL (0.56) MGLLFAAHHSP90AA1TLR9ALDH1A1
SCHEMBL21610368 0.81 MGLL (0.59) MGLLFAAHHSP90AA1TLR9ALDH1A1
SCHEMBL19851854 0.81 MGLL (0.59) MGLLFAAHHSP90AA1TLR9ALDH1A1
SCHEMBL17694103 0.77 MGLL (0.48) MGLLFAAHHSP90AA1TLR9ALDH1A1
SCHEMBL15834902 0.77 MGLL (0.52) MGLLFAAHHSP90AA1TLR9ALDH1A1
SCHEMBL19605926 0.76 MGLL (0.45) MGLLFAAHHSP90AA1TLR9ALDH1A1
SCHEMBL16407521 0.75 MGLL (0.46) MGLLFAAHHSP90AA1TLR9ALDH1A1
SCHEMBL19089770 0.72 MGLL (0.54) MGLLFAAHHSP90AA1TLR9ALDH1A1

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
US-10647810-B2 Method of forming of a robust network of epoxy material through Diels-Alder reaction ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2020-05-12 US disclosed