SCHEMBL19230563

SCHEMBL19230563

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

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC8A1 P32418 14/20 0.32
PPARG P37231 2/20 0.32
PPARD Q03181 2/20 0.32
PPARA Q07869 2/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL19230654 0.92 ITGB3 (0.33) SLC8A1ITGB3ITGA2B
SCHEMBL19230560 0.90 NR1H4 (0.37) SLC8A1PPARGPPARDPPARAITGB3
SCHEMBL19230606 0.88 ESR1 (0.38) SLC8A1
SCHEMBL19230784 0.87 SLC8A1 (0.36) SLC8A1ITGB3ITGA2B
SCHEMBL19230994 0.87 PPARG (0.33) SLC8A1PPARGPPARDPPARAKDM4E
SCHEMBL19230551 0.86 SLC8A1 (0.31) SLC8A1
SCHEMBL19230520 0.85 PPARG (0.33) PPARGPPARDPPARA
SCHEMBL19230683 0.80 SLC8A1 (0.34) SLC8A1
SCHEMBL19230696 0.79 ITGB3 (0.39) SLC8A1ITGB3ITGA2B
SCHEMBL19230547 0.79 PPARD (0.34) SLC8A1PPARDPPARA

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