SCHEMBL2128095

SCHEMBL2128095

CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COC(=O)c1cccc(CN(C)c2ncc(OCc3c(-c4c(Cl)cccc4Cl)noc3C(C)C)cc2Cl)c1

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 20/20 0.85
▸ LIFR P42702 3/20 0.55

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
SCHEMBL2130730 0.93 NR1H4 (0.85) NR1H4LIFR
SCHEMBL2129017 0.92 NR1H4 (1.00) NR1H4LIFR
SCHEMBL2128934 0.87 NR1H4 (1.00) NR1H4LIFR
SCHEMBL4830998 0.80 NR1H4 (0.72) NR1H4LIFR
SCHEMBL4421519 0.78 NR1H4 (0.75) NR1H4LIFR
SCHEMBL21624441 0.75 NR1H4 (1.00) NR1H4LIFR
SCHEMBL4611112 0.75 NR1H4 (0.79) NR1H4LIFR
SCHEMBL4840444 0.74 NR1H4 (0.69) NR1H4LIFR
SCHEMBL4435141 0.74 NR1H4 (0.73) NR1H4LIFR
SCHEMBL2129180 0.74 NR1H4 (0.72) NR1H4LIFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2084147-B1 HETEROCYCLIC FXR BINDING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2012-04-25 — — EP disclosed
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