SCHEMBL19230809

SCHEMBL19230809

COC(=O)c1ccc2c(c1)CC[C@H](c1ccc(OC/C(Cc3c(Cl)cccc3Cl)=C(/O)C3CC3)cc1Cl)O2

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.35
SLC8A1 P32418 14/20 0.35
FAAH O00519 2/20 0.34
KMT2A Q03164 1/20 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
SCHEMBL19230975 0.94 PPARG (0.36) NR1H4FAAHKMT2A
SCHEMBL19230546 0.87 SLC8A1 (0.34) SLC8A1
SCHEMBL19230558 0.85 NR1H4 (0.40) NR1H4SLC8A1
SCHEMBL19230321 0.84 KMT2A (0.40) FAAHKMT2A
SCHEMBL19230657 0.79 SLC8A1 (0.36) SLC8A1
SCHEMBL19230598 0.79 FAAH (0.34) NR1H4SLC8A1FAAHKMT2A
SCHEMBL19230377 0.78 SLC8A1 (0.37) NR1H4SLC8A1
SCHEMBL19230784 0.77 SLC8A1 (0.36) SLC8A1
SCHEMBL19230994 0.76 PPARG (0.33) SLC8A1
SCHEMBL19230764 0.76 SLC8A1 (0.40) SLC8A1

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