SCHEMBL12879074

SCHEMBL12879074

C=Cc1ccc(OCC2C(c3c(Cl)cccc3Cl)=NOC2C2CC2)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.33
HPGD P15428 1/20 0.32

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
SCHEMBL12879071 0.90 NR1H4 (0.36) NR1H4HPGD
SCHEMBL18724951 0.83 TAAR1 (0.42)
SCHEMBL12879281 0.83 NR1H4 (0.31) NR1H4
SCHEMBL12879002 0.83 NR1H4 (0.33) NR1H4
SCHEMBL12879262 0.78 NR1H4 (0.41) NR1H4
SCHEMBL12879269 0.76 NR1H4 (0.42) NR1H4
SCHEMBL12879170 0.76 NR1H4 (0.37) NR1H4
SCHEMBL12879010 0.75 NR1H4 (0.57) NR1H4
SCHEMBL14215909 0.74 NR1H4 (0.52) NR1H4
SCHEMBL12879085 0.74 NR1H4 (0.58) NR1H4

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