SCHEMBL19230657

SCHEMBL19230657

COC(=O)c1ccc2c(c1)CCC(c1ccc(OC/C(C(=N)c3c(Cl)cccc3Cl)=C(/O)C3CC3)cc1C)O2

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC8A1 P32418 18/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36

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
SCHEMBL19230377 0.92 SLC8A1 (0.37) SLC8A1ITGB3ITGA2B
SCHEMBL19230784 0.91 SLC8A1 (0.36) SLC8A1ITGB3ITGA2B
SCHEMBL19230764 0.90 SLC8A1 (0.40) SLC8A1
SCHEMBL19230598 0.88 FAAH (0.34) SLC8A1
SCHEMBL19230696 0.85 ITGB3 (0.39) SLC8A1ITGB3ITGA2B
SCHEMBL19230537 0.83 SLC8A1 (0.36) SLC8A1
SCHEMBL19230374 0.83 NR1H4 (0.33) SLC8A1
SCHEMBL19230560 0.83 NR1H4 (0.37) SLC8A1ITGB3ITGA2B
SCHEMBL19230633 0.82 MRGPRX4 (0.38) SLC8A1ITGB3ITGA2B
SCHEMBL19230827 0.81 NR1H4 (0.37) SLC8A1ITGB3ITGA2B

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