SCHEMBL4732206

SCHEMBL4732206

COC(=O)C1CCc2cccc(-c3c(Cl)cccc3Cl)c2O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
NFKB1 P19838 7/20 0.39
NFKB2 Q00653 7/20 0.39
RELA Q04206 7/20 0.39
SLC6A3 Q01959 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
AQP1 P29972 1/20 0.36
FABP4 P15090 2/20 0.34
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
TAS1R2 Q8TE23 2/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
FABP3 P05413 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL8213736 0.85 SMN1; SMN2 (0.41) L3MBTL1TDP1NFKB1NFKB2RELA
SCHEMBL4732072 0.85 TDP1 (0.40) L3MBTL1TDP1NFKB1NFKB2RELA
SCHEMBL4731714 0.85 TDP1 (0.40) L3MBTL1TDP1NFKB1NFKB2RELA
SCHEMBL4729890 0.85 SMN1; SMN2 (0.41) L3MBTL1TDP1NFKB1NFKB2RELA
SCHEMBL8203895 0.85 SMN1; SMN2 (0.41) L3MBTL1TDP1NFKB1NFKB2RELA
SCHEMBL24496712 0.78 NFKB1 (0.41) L3MBTL1TDP1NFKB1NFKB2RELA
SCHEMBL15882879 0.78 NFKB1 (0.41) L3MBTL1TDP1NFKB1NFKB2RELA
SCHEMBL29588222 0.78 NFKB1 (0.41) L3MBTL1TDP1NFKB1NFKB2RELA
SCHEMBL24496718 0.78 NFKB1 (0.41) L3MBTL1TDP1NFKB1NFKB2RELA
SCHEMBL4733346 0.76 AQP1 (0.42) L3MBTL1TDP1SLC6A3AQP1FABP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008052088-A1 CHROMANE DERIVATIVES, SYNTHESIS THEREOF, AND INTERMEDIATES THERETO WYETH (US) 2008-05-02 WO disclosed
WO-2008052088-A1 CHROMANE DERIVATIVES, SYNTHESIS THEREOF, AND INTERMEDIATES THERETO WYETH (US) 2008-05-02 WO disclosed