SCHEMBL19230320

SCHEMBL19230320

COC(=O)c1ccc2c(c1)CCC(c1ccc(OC/C(C(=N)c3c(Cl)cccc3Cl)=C(/O)C3CC3)cc1Cl)C2

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 14/20 0.38
KMT2A Q03164 1/20 0.37
F2 P00734 1/20 0.34
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
ATM Q13315 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33

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
SCHEMBL19230512 0.92 NR1H4 (0.37) FAAHITGB3ITGA2B
SCHEMBL19230586 0.86 FAAH (0.33) FAAHITGB3ITGA2BADRB1ADRB3
SCHEMBL19230369 0.85 ITGB3 (0.36) FAAHKMT2AITGB3ITGA2BTAS1R3
SCHEMBL19230598 0.85 FAAH (0.34) FAAHKMT2A
SCHEMBL19230321 0.84 KMT2A (0.40) FAAHKMT2ATAS1R3TAS1R1TAS1R2
SCHEMBL19230657 0.80 SLC8A1 (0.36) ITGB3ITGA2B
SCHEMBL19230377 0.80 SLC8A1 (0.37) ITGB3ITGA2B
SCHEMBL19230762 0.80 MAPT (0.38) KMT2AADRB3
SCHEMBL19230764 0.79 SLC8A1 (0.40)
SCHEMBL19202445 0.79 NR1H4 (0.48)

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