SCHEMBL3638778

SCHEMBL3638778

CCCc1onc(-c2c(Cl)cccc2Cl)c1COc1ccc2cc(-c3ccc(C(=O)OCC)cc3)sc2c1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 19/20 0.65
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ VDR P11473 1/20 0.44

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
SCHEMBL3639052 0.94 NR1H4 (0.66) NR1H4
SCHEMBL3639127 0.94 NR1H4 (0.65) NR1H4TDP1L3MBTL1VDR
SCHEMBL3641513 0.92 NR1H4 (0.77) NR1H4VDR
SCHEMBL1179725 0.89 NR1H4 (0.83) NR1H4
SCHEMBL3644100 0.88 NR1H4 (0.66) NR1H4TDP1L3MBTL1
SCHEMBL3642158 0.87 NR1H4 (0.78) NR1H4
SCHEMBL3644591 0.85 NR1H4 (0.77) NR1H4VDR
SCHEMBL3637272 0.83 NR1H4 (0.55) NR1H4
SCHEMBL1180824 0.83 NR1H4 (0.83) NR1H4
SCHEMBL1180458 0.82 NR1H4 (0.83) NR1H4VDR

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-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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