SCHEMBL19230732

SCHEMBL19230732

COC(=O)c1ccc2c(c1)OCC(c1ccc(OCC3C(c4c(Cl)cccc4Cl)=NOC3C3CC3)cc1Cl)O2

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 16/20 0.34
FXR2 P51116 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
FFAR1 O14842 2/20 0.31

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
SCHEMBL12879009 0.82 NR1H4 (0.48) NR1H4FXR2
SCHEMBL12879066 0.79 NR1H4 (0.51) NR1H4FXR2
SCHEMBL12879061 0.76 NR1H4 (0.49) NR1H4FXR2
SCHEMBL19620248 0.75 NR1H4 (0.51) NR1H4
SCHEMBL19230581 0.75 NR1H4 (0.58) NR1H4FXR2
SCHEMBL12879262 0.75 NR1H4 (0.41) NR1H4MEN1KMT2A
SCHEMBL23474093 0.75 ACACB (0.38) NR1H4
SCHEMBL12879010 0.75 NR1H4 (0.57) NR1H4FXR2
SCHEMBL19230579 0.73 NR1H4 (0.54) NR1H4FXR2
SCHEMBL12879085 0.72 NR1H4 (0.58) 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-2017133521-A1 FXR RECEPTOR AGONIST 山东轩竹医药科技有限公司 2017-08-10 WO disclosed