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SCHEMBL6208959

SCHEMBL6208959

CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(CN(C)c2cccc(C(O)C(=O)c3ccccc3)c2)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 20/20 0.60
▸ PPARD Q03181 2/20 0.58
▸ LIFR P42702 3/20 0.56
▸ MEN1 O00255 1/20 0.54
▸ FABP1 P07148 1/20 0.54
▸ THRB P10828 1/20 0.54
▸ RECQL P46063 1/20 0.54
▸ BLM P54132 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ HSD17B13 Q7Z5P4 1/20 0.54

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
SCHEMBL6208963 0.96 NR1H4 (0.62) NR1H4PPARDLIFRMEN1FABP1
SCHEMBL4432958 0.89 NR1H4 (0.75) NR1H4PPARDLIFRMEN1FABP1
SCHEMBL4435141 0.86 NR1H4 (0.73) NR1H4PPARDLIFR
SCHEMBL4598944 0.78 NR1H4 (0.87) NR1H4PPARDLIFRMEN1FABP1
SCHEMBL4838231 0.77 NR1H4 (0.85) NR1H4PPARDLIFRMEN1FABP1
SCHEMBL4425061 0.77 NR1H4 (0.57) NR1H4LIFRMEN1FABP1THRB
SCHEMBL4838421 0.76 NR1H4 (0.76) NR1H4PPARDLIFR
SCHEMBL4426194 0.75 NR1H4 (0.88) NR1H4PPARDLIFRMEN1FABP1
SCHEMBL30080777 0.75 NR1H4 (1.00) NR1H4LIFRMEN1FABP1THRB
SCHEMBL28535262 0.75 NR1H4 (1.00) NR1H4LIFRMEN1FABP1THRB

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-1562915-A1 FARNESOID X RECEPTOR AGONISTS SmithKline Beecham Corporation (US) 2005-08-17 — — EP disclosed
WO-2004048349-A1 FARNESOID X RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-06-10 — — WO disclosed