SCHEMBL8213736

SCHEMBL8213736

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
FABP4 P15090 10/20 0.40
FABP3 P05413 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NFKB1 P19838 4/20 0.39
NFKB2 Q00653 4/20 0.39
RELA Q04206 4/20 0.39
LTB4R Q15722 2/20 0.35
LTB4R2 Q9NPC1 2/20 0.35
PDPK1 O15530 1/20 0.34

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
SCHEMBL4729890 1.00 SMN1; SMN2 (0.41) SMN1; SMN2FABP4FABP3TDP1L3MBTL1
SCHEMBL8203895 1.00 SMN1; SMN2 (0.41) SMN1; SMN2FABP4FABP3TDP1L3MBTL1
SCHEMBL4731714 0.89 TDP1 (0.40) FABP4FABP3TDP1L3MBTL1NFKB1
SCHEMBL4732072 0.89 TDP1 (0.40) FABP4FABP3TDP1L3MBTL1NFKB1
SCHEMBL4732206 0.85 L3MBTL1 (0.42) SMN1; SMN2FABP4FABP3TDP1L3MBTL1
SCHEMBL5324235 0.79 TDP1 (0.39) FABP4FABP3TDP1L3MBTL1
SCHEMBL5324231 0.78 NFKB1 (0.46) TDP1L3MBTL1NFKB1NFKB2RELA
SCHEMBL4732706 0.77 SMN1; SMN2 (0.46) SMN1; SMN2
SCHEMBL8202534 0.77 SMN1; SMN2 (0.46) SMN1; SMN2
SCHEMBL23911581 0.76 NFKB1 (0.41) SMN1; SMN2NFKB1NFKB2RELALTB4R

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