SCHEMBL3637110

SCHEMBL3637110

CCCc1onc(-c2c(Cl)cccc2Cl)c1COc1ccc2sc(-c3cccc(C(=O)O)c3)cc2c1

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 20/20 0.78
▸ LIFR P42702 2/20 0.55
▸ 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
SCHEMBL3642158 0.94 NR1H4 (0.78) NR1H4LIFRHSD17B13
SCHEMBL3644591 0.94 NR1H4 (0.77) NR1H4LIFRHSD17B13
SCHEMBL3644100 0.92 NR1H4 (0.66) NR1H4LIFRHSD17B13
SCHEMBL3640492 0.88 NR1H4 (0.75) NR1H4LIFRHSD17B13
SCHEMBL1179789 0.88 NR1H4 (1.00) NR1H4LIFRHSD17B13
SCHEMBL3641513 0.88 NR1H4 (0.77) NR1H4LIFRHSD17B13
SCHEMBL3639127 0.87 NR1H4 (0.65) NR1H4
SCHEMBL3639052 0.86 NR1H4 (0.66) NR1H4LIFRHSD17B13
SCHEMBL30080606 0.85 NR1H4 (0.74) NR1H4LIFRHSD17B13
SCHEMBL3645436 0.83 NR1H4 (0.66) NR1H4LIFRHSD17B13

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