SCHEMBL4345558

SCHEMBL4345558

CCCc1onc(CSc2c(Cl)cccc2Cl)c1C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
GHSR Q92847 2/20 0.42
ALDH1A1 P00352 5/20 0.42
LMNA P02545 4/20 0.42
HPGD P15428 2/20 0.42
GAA P10253 3/20 0.42
ALOX5 P09917 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.39
MAPT P10636 2/20 0.39
CYP2C9 P11712 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 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
SCHEMBL4951120 0.83 POLB (0.45) POLBGHSRALDH1A1LMNAHPGD
SCHEMBL4946160 0.83 POLB (0.45) POLBGHSRALDH1A1LMNAHPGD
SCHEMBL2007489 0.81 NR1H4 (0.47) POLBGHSRALDH1A1LMNAHPGD
SCHEMBL4339369 0.78 NR1H4 (0.36) GHSRALDH1A1LMNAHPGDALOX5
SCHEMBL4336590 0.75 LMNA (0.44) POLBGHSRALDH1A1LMNAGAA
SCHEMBL4336583 0.73 KMT2A (0.41) GHSRALDH1A1LMNAGAAMAPT
SCHEMBL4348580 0.73 LMNA (0.42) POLBGHSRALDH1A1LMNAGAA
SCHEMBL4337377 0.71 LMNA (0.39) GHSRALDH1A1LMNAGAAMAPT
SCHEMBL18605355 0.69 LMNA (0.43) POLBALDH1A1LMNAGAAMAPT
SCHEMBL13283814 0.68 HTT (0.47) POLBALDH1A1LMNAHPGDGAA

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