SCHEMBL19230696

SCHEMBL19230696

N=C(/C(COc1ccc(C2CCc3cc(C(N)=O)ccc3O2)c(Cl)c1)=C(\O)C1CC1)c1c(Cl)cccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
SLC8A1 P32418 15/20 0.36
NR1H4 Q96RI1 2/20 0.34

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
SCHEMBL19230544 0.91 ITGB3 (0.35) ITGB3ITGA2BSLC8A1NR1H4
SCHEMBL19230654 0.87 ITGB3 (0.33) ITGB3ITGA2BSLC8A1
SCHEMBL19230827 0.85 NR1H4 (0.37) ITGB3ITGA2BSLC8A1NR1H4
SCHEMBL19230560 0.85 NR1H4 (0.37) ITGB3ITGA2BSLC8A1NR1H4
SCHEMBL19230547 0.85 PPARD (0.34) SLC8A1
SCHEMBL19230633 0.85 MRGPRX4 (0.38) ITGB3ITGA2BSLC8A1NR1H4
SCHEMBL19230657 0.85 SLC8A1 (0.36) ITGB3ITGA2BSLC8A1
SCHEMBL19230598 0.85 FAAH (0.34) SLC8A1NR1H4
SCHEMBL19230377 0.84 SLC8A1 (0.37) ITGB3ITGA2BSLC8A1NR1H4
SCHEMBL19230784 0.83 SLC8A1 (0.36) ITGB3ITGA2BSLC8A1

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