SCHEMBL4332286

SCHEMBL4332286

CCCc1onc(-c2c(Cl)cccc2Cl)c1CCC=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 5/20 0.47
NR1H4 Q96RI1 5/20 0.39
TSHR P16473 1/20 0.39
SCN9A Q15858 2/20 0.39
SCN5A Q14524 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL3638890 0.85 GHSR (0.48) GHSRNR1H4TSHRSCN9ASCN5A
SCHEMBL12168922 0.84 GHSR (0.49) GHSRNR1H4TSHRSCN9ASCN5A
SCHEMBL3638644 0.81 GHSR (0.50) GHSRNR1H4TSHRSCN9ASCN5A
SCHEMBL3637567 0.81 GHSR (0.51) GHSRNR1H4TSHRSCN9ASCN5A
SCHEMBL4335252 0.81 GHSR (0.50) GHSRNR1H4TSHRSCN9ASCN5A
SCHEMBL3642232 0.80 GHSR (0.49) GHSRNR1H4TSHRSCN9ASCN5A
SCHEMBL2006425 0.80 NR1H4 (0.59) NR1H4
SCHEMBL12168916 0.77 SCN9A (0.43) GHSRNR1H4TSHRSCN9ASCN5A
SCHEMBL4339365 0.77 GHSR (0.42) GHSRNR1H4SCN9ASCN5ATDP1
SCHEMBL6081424 0.74 ALDH1A1 (0.49) GHSRTSHRTDP1L3MBTL1ALDH1A1

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