SCHEMBL12879010

SCHEMBL12879010

O=C(O)c1ccc(C2CC2c2ccc(OCC3C(c4c(Cl)cccc4Cl)=NOC3C3CC3)cc2Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.57
FXR2 P51116 1/20 0.57

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
SCHEMBL12879085 0.93 NR1H4 (0.58) NR1H4FXR2
SCHEMBL12879009 0.91 NR1H4 (0.48) NR1H4FXR2
SCHEMBL12879013 0.90 NR1H4 (0.59) NR1H4FXR2
SCHEMBL12879269 0.86 NR1H4 (0.42) NR1H4FXR2
SCHEMBL12879016 0.86 NR1H4 (0.47) NR1H4FXR2
SCHEMBL12879290 0.85 NR1H4 (0.56) NR1H4FXR2
SCHEMBL12879066 0.85 NR1H4 (0.51) NR1H4FXR2
SCHEMBL12879017 0.84 NR1H4 (0.64) NR1H4FXR2
SCHEMBL12879061 0.84 NR1H4 (0.49) NR1H4FXR2
SCHEMBL12879297 0.84 NR1H4 (0.54) NR1H4FXR2

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
WO-2011020615-A1 NOVEL FXR (NR1H4 ) BINDING AND ACTIVITY MODULATING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2011-02-24 WO disclosed