SCHEMBL8209908

SCHEMBL8209908

NC(O)[C@H]1CCc2cccc(-c3c(Cl)cccc3Cl)c2O1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AQP1 P29972 1/20 0.33
AADAT Q8N5Z0 1/20 0.32
NOS3 P29474 1/20 0.32
FABP4 P15090 4/20 0.31
FABP3 P05413 1/20 0.31
HTR1A P08908 2/20 0.30
HTR7 P34969 2/20 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
SCHEMBL4732072 0.77 TDP1 (0.40) TDP1L3MBTL1AQP1FABP4FABP3
SCHEMBL4731714 0.77 TDP1 (0.40) TDP1L3MBTL1AQP1FABP4FABP3
SCHEMBL8258102 0.76 AQP1 (0.42) TDP1L3MBTL1AQP1HTR1AHTR7
SCHEMBL8255634 0.76 AQP1 (0.42) TDP1L3MBTL1AQP1HTR1AHTR7
SCHEMBL4621299 0.76 AQP1 (0.42) TDP1L3MBTL1AQP1HTR1AHTR7
SCHEMBL4932578 0.75 L3MBTL1 (0.39) TDP1L3MBTL1AQP1FABP4FABP3
Hydrochloric Acid SCHEMBL4934942 0.75 AQP1 (0.41) TDP1L3MBTL1AQP1HTR1AHTR7
SCHEMBL4729890 0.75 SMN1; SMN2 (0.41) TDP1L3MBTL1FABP4FABP3
Hydrochloric Acid SCHEMBL4621884 0.75 AQP1 (0.41) TDP1L3MBTL1AQP1HTR1AHTR7
SCHEMBL8213736 0.75 SMN1; SMN2 (0.41) TDP1L3MBTL1FABP4FABP3

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
WO-2008052087-A1 CHROMANE DERIVATIVES AND USES THEREOF WYETH (US) 2008-05-02 WO disclosed