SCHEMBL19230970

SCHEMBL19230970

N=C(/C(COc1ccc(C2CCc3c(cccc3C(=O)O)O2)c(Cl)c1)=C(\O)C1CC1)c1c(Cl)cccc1Cl

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 9/20 0.31
FXR2 P51116 1/20 0.31

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
SCHEMBL19230749 0.92 TAS1R3 (0.33)
SCHEMBL19230696 0.82 ITGB3 (0.39) NR1H4
SCHEMBL19230654 0.81 ITGB3 (0.33)
SCHEMBL19230520 0.81 PPARG (0.33)
SCHEMBL19230598 0.80 FAAH (0.34) NR1H4
SCHEMBL19230547 0.79 PPARD (0.34)
SCHEMBL19230633 0.78 MRGPRX4 (0.38) NR1H4
SCHEMBL19230560 0.77 NR1H4 (0.37) NR1H4
SCHEMBL19230827 0.76 NR1H4 (0.37) NR1H4
SCHEMBL19230657 0.74 SLC8A1 (0.36)

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