SCHEMBL19230598

SCHEMBL19230598

COC(=O)c1ccc2c(c1)OC(c1ccc(OC/C(C(=N)c3c(Cl)cccc3Cl)=C(/O)C3CC3)cc1Cl)CC2

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.34
PPARG P37231 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
NR1H4 Q96RI1 3/20 0.33
FFAR1 O14842 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.31
SLC8A1 P32418 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
SCHEMBL19230657 0.88 SLC8A1 (0.36) SLC8A1
SCHEMBL19230377 0.87 SLC8A1 (0.37) NR1H4SLC8A1
SCHEMBL19230784 0.86 SLC8A1 (0.36) SLC8A1
SCHEMBL19230520 0.86 PPARG (0.33) PPARGPPARDPPARA
SCHEMBL19230749 0.85 TAS1R3 (0.33) FAAH
SCHEMBL19230677 0.85 FAAH (0.35) FAAHPPARD
SCHEMBL19230764 0.85 SLC8A1 (0.40) SLC8A1
SCHEMBL19230320 0.85 FAAH (0.38) FAAHKMT2A
SCHEMBL19230975 0.85 PPARG (0.36) FAAHPPARGPPARDPPARANR1H4
SCHEMBL19230696 0.85 ITGB3 (0.39) NR1H4SLC8A1

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