SCHEMBL4332237

SCHEMBL4332237

CCCc1onc(-c2c(Cl)ccnc2Cl)c1CO

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 5/20 0.38
NR1H4 Q96RI1 8/20 0.36
FFAR4 Q5NUL3 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.34
PTGS1 P23219 1/20 0.32
SCN5A Q14524 1/20 0.31
SCN9A Q15858 1/20 0.31
PTGS2 P35354 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 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
SCHEMBL3638644 0.84 GHSR (0.50) GHSRNR1H4GPBAR1SCN5ASCN9A
SCHEMBL3645682 0.79 GHSR (0.38) GHSRNR1H4FFAR4GPBAR1PTGS1
SCHEMBL2006971 0.78 NR1H4 (0.55) NR1H4
SCHEMBL4338523 0.77 POLB (0.49) GHSRNR1H4GPBAR1
SCHEMBL3638890 0.74 GHSR (0.48) GHSRNR1H4GPBAR1SCN5ASCN9A
SCHEMBL4335252 0.73 GHSR (0.50) GHSRNR1H4GPBAR1SCN5ASCN9A
SCHEMBL12168922 0.72 GHSR (0.49) GHSRNR1H4GPBAR1PTGS1SCN5A
SCHEMBL3637567 0.68 GHSR (0.51) GHSRNR1H4FFAR4GPBAR1SCN5A
SCHEMBL12168917 0.68 GHSR (0.45) GHSRNR1H4SCN5ASCN9APTGS2
SCHEMBL4953612 0.67 GHSR (0.37) GHSRNR1H4GPBAR1SCN5ASCN9A

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
EP-2079307-A2 FARNESOID X RECEPTOR AGONISTS SmithKline Beecham Corporation (US) 2009-07-22 EP disclosed
WO-2008051942-A2 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-02 WO disclosed