SCHEMBL19230994

SCHEMBL19230994

O=Cc1ccc2c(c1)CCC(c1ccc(OC/C(Cc3c(Cl)cccc3Cl)=C(/O)C3CC3)cc1C(F)(F)F)O2

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SLC8A1 P32418 11/20 0.32
S1PR1 P21453 2/20 0.32
S1PR5 Q9H228 2/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL19230563 0.87 SLC8A1 (0.32) PPARGPPARDPPARAKDM4EALDH1A1
SCHEMBL19230546 0.79 SLC8A1 (0.34) PPARDSLC8A1
SCHEMBL19230558 0.79 NR1H4 (0.40) SLC8A1
SCHEMBL19230654 0.78 ITGB3 (0.33) SLC8A1
SCHEMBL19230809 0.76 NR1H4 (0.35) SLC8A1
SCHEMBL19230560 0.76 NR1H4 (0.37) PPARGPPARDPPARASLC8A1
SCHEMBL19230780 0.75 SLC8A1 (0.33) SLC8A1
SCHEMBL19230606 0.73 ESR1 (0.38) SLC8A1
SCHEMBL19230551 0.73 SLC8A1 (0.31) SLC8A1
SCHEMBL19230975 0.72 PPARG (0.36) PPARGPPARDPPARA

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