SCHEMBL8728819

SCHEMBL8728819

CCN1CCCc2cc(CO)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.53
GAA P10253 12/20 0.53
MAPT P10636 8/20 0.53
KDM4E B2RXH2 6/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
LMNA P02545 2/20 0.53
CASP1 P29466 2/20 0.53
HTT P42858 2/20 0.53
TP53 P04637 2/20 0.53
CASP7 P55210 1/20 0.53
SMAD3 P84022 1/20 0.53
HSD17B10 Q99714 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HRH3 Q9Y5N1 1/20 0.49
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
MAPK1 P28482 5/20 0.44
TYMS P04818 1/20 0.43

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
SCHEMBL10784314 0.87 ALDH1A1 (0.52) ALDH1A1GAAMAPTKDM4EMEN1
SCHEMBL31590791 0.84 ALDH1A1 (0.67) ALDH1A1GAAMAPTKDM4EMEN1
SCHEMBL8731853 0.81 HRH3 (0.51) ALDH1A1GAAMAPTKDM4EMEN1
SCHEMBL12682909 0.81 ALDH1A1 (0.54) ALDH1A1GAAMAPTKDM4EMEN1
SCHEMBL31476393 0.81 ADRB3 (0.52) ALDH1A1GAAMAPTKDM4EMEN1
SCHEMBL12956755 0.79 ALDH1A1 (0.59) ALDH1A1GAAMAPTKDM4EMEN1
SCHEMBL23128840 0.78 HSD17B3 (0.52) ALDH1A1GAAMAPTKDM4EMEN1
SCHEMBL10493943 0.78 ATAD2 (0.53) ALDH1A1GAAMAPTKDM4EMEN1
SCHEMBL8728886 0.78 HDAC1 (0.52) ALDH1A1GAAMAPTKDM4EMEN1
SCHEMBL12656517 0.78 HDAC1 (0.53) ALDH1A1GAAMAPTKDM4EMEN1

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-5776482-A Tetrahydroquinoline analogues for use in glaucoma treatment UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 1998-07-07 US claimed