SCHEMBL19230581

SCHEMBL19230581

COC(=O)c1ccc2c(c1)OCC(c1ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc1Cl)O2

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.58
FXR2 P51116 1/20 0.58

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
SCHEMBL19230579 0.96 NR1H4 (0.54) NR1H4FXR2
SCHEMBL19230580 0.92 NR1H4 (0.68) NR1H4FXR2
SCHEMBL19230497 0.89 NR1H4 (0.60) NR1H4FXR2
SCHEMBL19230595 0.88 NR1H4 (0.63) NR1H4FXR2
SCHEMBL19230655 0.88 NR1H4 (0.63) NR1H4FXR2
SCHEMBL19230309 0.88 NR1H4 (0.63) NR1H4FXR2
SCHEMBL19230516 0.88 NR1H4 (0.63) NR1H4FXR2
SCHEMBL19230774 0.85 NR1H4 (0.54) NR1H4FXR2
SCHEMBL19230747 0.82 NR1H4 (0.56) NR1H4FXR2
SCHEMBL19230376 0.82 NR1H4 (0.61) 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 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