SCHEMBL3637567

SCHEMBL3637567

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 5/20 0.51
NR1H4 Q96RI1 7/20 0.48
PPARD Q03181 2/20 0.48
FFAR4 Q5NUL3 1/20 0.47
FABP1 P07148 2/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SCN5A Q14524 1/20 0.43
SCN9A Q15858 1/20 0.43
GPBAR1 Q8TDU6 1/20 0.43
PTGS2 P35354 1/20 0.42
POLB P06746 1/20 0.41

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 0.83 GHSR (0.50) GHSRNR1H4ALDH1A1LMNAGAA
SCHEMBL12168922 0.83 GHSR (0.49) GHSRNR1H4ALDH1A1LMNAGAA
SCHEMBL4335252 0.82 GHSR (0.50) GHSRNR1H4ALDH1A1LMNAGAA
SCHEMBL3638890 0.81 GHSR (0.48) GHSRNR1H4ALDH1A1LMNAGAA
SCHEMBL4332286 0.81 GHSR (0.47) GHSRNR1H4ALDH1A1LMNAGAA
SCHEMBL6081703 0.81 GHSR (0.62) GHSRALDH1A1LMNAGAAMAPT
SCHEMBL1179572 0.80 NR1H4 (0.67) NR1H4PPARD
SCHEMBL3640481 0.78 NR1H4 (0.62) NR1H4PPARDFABP1
SCHEMBL9535220 0.75 GHSR (0.51) GHSRALDH1A1LMNAGAAMAPT
SCHEMBL12168917 0.75 GHSR (0.45) GHSRNR1H4ALDH1A1LMNAGAA

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-2173174-A1 FARNESOID X RECEPTOR AGONISTS GlaxoSmithKline LLC (US) 2010-04-14 EP disclosed
WO-2009005998-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2009-01-08 WO disclosed