SCHEMBL19230535

SCHEMBL19230535

O=C(O)c1ccc2c(c1)CCC(c1ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)nc1)O2

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.67

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
SCHEMBL19230536 0.92 NR1H4 (0.57) NR1H4
SCHEMBL19230607 0.90 NR1H4 (0.73) NR1H4
SCHEMBL19230629 0.90 NR1H4 (0.69) NR1H4
SCHEMBL19230566 0.86 NR1H4 (0.71) NR1H4
SCHEMBL19230548 0.85 NR1H4 (0.67) NR1H4
SCHEMBL19230515 0.85 NR1H4 (0.74) NR1H4
SCHEMBL19230541 0.85 NR1H4 (0.74) NR1H4
SCHEMBL19230625 0.85 NR1H4 (0.74) NR1H4
SCHEMBL19230557 0.83 NR1H4 (0.71) NR1H4
SCHEMBL19230761 0.82 NR1H4 (0.62) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108602811-B FXR receptor agonists 轩竹生物科技有限公司 2021-11-16 CN disclosed
WO-2017133521-A1 FXR RECEPTOR AGONIST 山东轩竹医药科技有限公司 2017-08-10 WO disclosed