SCHEMBL3644591

SCHEMBL3644591

CCCc1onc(-c2c(Cl)cccc2Cl)c1COc1ccc2sc(-c3ccc(C(=O)O)cc3)cc2c1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 20/20 0.77
▸ LIFR P42702 2/20 0.51
▸ HSD17B13 Q7Z5P4 1/20 0.49
▸ VDR P11473 1/20 0.49

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
SCHEMBL3637110 0.94 NR1H4 (0.78) NR1H4LIFRHSD17B13
SCHEMBL3641513 0.94 NR1H4 (0.77) NR1H4LIFRHSD17B13VDR
SCHEMBL3639127 0.92 NR1H4 (0.65) NR1H4VDR
SCHEMBL3641386 0.88 NR1H4 (0.75) NR1H4LIFRHSD17B13
SCHEMBL3642158 0.88 NR1H4 (0.78) NR1H4LIFRHSD17B13
SCHEMBL1180454 0.87 NR1H4 (1.00) NR1H4LIFRVDR
SCHEMBL3644100 0.87 NR1H4 (0.66) NR1H4LIFRHSD17B13
SCHEMBL3638778 0.85 NR1H4 (0.65) NR1H4VDR
SCHEMBL3642716 0.85 NR1H4 (0.77) NR1H4LIFRHSD17B13
SCHEMBL3640492 0.84 NR1H4 (0.75) 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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