SCHEMBL4338523

SCHEMBL4338523

CCCc1onc(-c2c(Cl)ccnc2Cl)c1C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
GHSR Q92847 7/20 0.48
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 2/20 0.41
GPBAR1 Q8TDU6 1/20 0.40
GLA P06280 1/20 0.39
PKM P14618 1/20 0.39
NR1H4 Q96RI1 1/20 0.37
NPC1 O15118 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
SCHEMBL4332205 0.81 ALDH1A1 (0.43) POLBGHSRALDH1A1GAAHPGD
SCHEMBL1999474 0.79 POLB (0.51) POLBGHSRALDH1A1GAAMAPT
SCHEMBL4332237 0.77 GHSR (0.38) GHSRGPBAR1NR1H4
SCHEMBL5772850 0.73 ALDH1A1 (0.53) POLBGHSRALDH1A1GAAMAPT
SCHEMBL4010252 0.72 POLB (0.68) POLBGHSRALDH1A1GAAMAPT
SCHEMBL4332248 0.72 NR1H4 (0.54) NR1H4
SCHEMBL6081703 0.72 GHSR (0.62) POLBGHSRALDH1A1GAAMAPT
SCHEMBL4946160 0.70 POLB (0.45) POLBGHSRALDH1A1GAAMAPT
SCHEMBL4951120 0.70 POLB (0.45) POLBGHSRALDH1A1GAAMAPT
SCHEMBL30227922 0.70 ATR (0.46) POLBALDH1A1GAAHPGD

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