Sugi Predict

Sugi Predict / Compounds / SCHEMBL6207698

SCHEMBL6207698

SCHEMBL6207698

Cc1cc(OCc2c(-c3ccccc3OC(F)(F)F)noc2C(C)C)ccc1COc1cccc(C(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 20/20 0.62
▸ LIFR P42702 2/20 0.54
▸ HSD17B13 Q7Z5P4 1/20 0.52

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
SCHEMBL4423512 0.92 NR1H4 (0.59) NR1H4LIFRHSD17B13
SCHEMBL4432113 0.92 NR1H4 (0.62) NR1H4LIFRHSD17B13
SCHEMBL4426189 0.90 NR1H4 (0.57) NR1H4LIFRHSD17B13
SCHEMBL4427416 0.87 NR1H4 (0.58) NR1H4LIFRHSD17B13
SCHEMBL4429505 0.86 NR1H4 (0.58) NR1H4LIFRHSD17B13
SCHEMBL4433920 0.86 NR1H4 (0.61) NR1H4LIFRHSD17B13
SCHEMBL4834930 0.85 NR1H4 (0.62) NR1H4LIFR
SCHEMBL4425486 0.85 NR1H4 (0.58) NR1H4LIFRHSD17B13
SCHEMBL4596847 0.85 NR1H4 (0.56) NR1H4LIFRHSD17B13
SCHEMBL16456770 0.84 NR1H4 (0.60) NR1H4HSD17B13

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7319109-B2 Farnesoid X receptor agonists SMITH KLINE BEECHAM CORPORATION (US) 2008-01-15 — — US disclosed
US-7319109-B2 Farnesoid X receptor agonists SMITH KLINE BEECHAM CORPORATION (US) 2008-01-15 — — US disclosed
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