SCHEMBL9124703

SCHEMBL9124703

O=C(C#Cc1ccccc1)c1cccc(C(=O)C#Cc2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.69
NPSR1 Q6W5P4 4/20 0.69
ALDH1A1 P00352 3/20 0.69
MAPT P10636 3/20 0.69
HTT P42858 2/20 0.69
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
MITF O75030 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
VCP P55072 1/20 0.62
OPRK1 P41145 2/20 0.59
S1PR2 O95136 1/20 0.59
NPC1 O15118 1/20 0.51
AGTR1 P30556 1/20 0.51
RAB9A P51151 1/20 0.51
PAX8 Q06710 1/20 0.51
TLR9 Q9NR96 1/20 0.51
NTSR1 P30989 1/20 0.49
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 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
SCHEMBL978641 0.90 VCP (0.75) HSP90AA1NPSR1ALDH1A1MAPTHTT
SCHEMBL28972852 0.88 MEN1 (0.60) HSP90AA1NPSR1ALDH1A1MAPTHTT
SCHEMBL30114976 0.88 MEN1 (0.60) HSP90AA1NPSR1ALDH1A1MAPTHTT
SCHEMBL30114847 0.88 VCP (0.68) HSP90AA1NPSR1ALDH1A1MAPTHTT
SCHEMBL5592874 0.88 VCP (0.68) HSP90AA1NPSR1ALDH1A1MAPTHTT
SCHEMBL17348262 0.88 HSP90AA1 (0.60) HSP90AA1NPSR1ALDH1A1MAPTHTT
SCHEMBL28574185 0.88 HSP90AA1 (0.60) HSP90AA1NPSR1ALDH1A1MAPTHTT
SCHEMBL10625119 0.85 VCP (0.81) HSP90AA1NPSR1ALDH1A1MAPTHTT
SCHEMBL27763784 0.84 MEN1 (0.56) HSP90AA1NPSR1ALDH1A1MAPTHTT
SCHEMBL30114938 0.82 VCP (0.60) HSP90AA1NPSR1ALDH1A1MAPTHTT

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-5449740-A Resin systems derived from insitu-generated bisdienes from bis-benzocyclobutene compounds THE UNIVERSITY OF DAYTON (US) 1995-09-12 US disclosed