SCHEMBL19230677

SCHEMBL19230677

COC(=O)c1cccc2c1OC(c1ccc(OC/C(C(=N)c3c(Cl)cccc3Cl)=C(/O)C3CC3)cc1Cl)CC2

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 10/20 0.35
TAS1R3 Q7RTX0 3/20 0.34
TAS1R1 Q7RTX1 3/20 0.34
TAS1R2 Q8TE23 3/20 0.34
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RAB9A P51151 1/20 0.31
GRIN2C Q14957 1/20 0.31
PPARD Q03181 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
SCHEMBL19230813 0.91 FAAH (0.35) FAAHTAS1R3TAS1R1TAS1R2TDP1
SCHEMBL19230749 0.88 TAS1R3 (0.33) FAAHTAS1R3TAS1R1TAS1R2RAB9A
SCHEMBL19230598 0.85 FAAH (0.34) FAAHPPARD
SCHEMBL19230970 0.81 NR1H4 (0.31)
SCHEMBL19230657 0.80 SLC8A1 (0.36)
SCHEMBL19230525 0.80 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2
SCHEMBL19230377 0.79 SLC8A1 (0.37)
SCHEMBL19230696 0.79 ITGB3 (0.39)
SCHEMBL19230520 0.79 PPARG (0.33) PPARD
SCHEMBL19230654 0.79 ITGB3 (0.33)

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