SCHEMBL8779401

SCHEMBL8779401

COc1ccc(C(CCOCc2cccnc2)[C@H]2NC(=O)c3ccccc32)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.41
PDE4A P27815 5/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.38
PDE4B Q07343 5/20 0.37
PDE4C Q08493 4/20 0.37
PDE4D Q08499 4/20 0.37
PTAFR P25105 1/20 0.37
POLB P06746 1/20 0.37
TNF P01375 1/20 0.37
QPCT Q16769 1/20 0.36
REN P00797 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL8420151 0.83 TNF (0.43) PDE4ALMNAPDE4BPDE4CPDE4D
SCHEMBL7437121 0.78 TNF (0.60) PDE4APDE4BPDE4CPDE4DTNF
SCHEMBL8421923 0.78 TNF (0.56) HSD17B10PDE4ALMNAPDE4BPDE4C
SCHEMBL8421376 0.78 TNF (0.56) HSD17B10PDE4ALMNAPDE4BPDE4C
SCHEMBL8419507 0.78 KDM4E (0.44) PDE4ALMNAPDE4BPDE4CPDE4D
SCHEMBL8779410 0.76 TNF (0.49) HSD17B10PDE4ALMNAPDE4BPDE4C
SCHEMBL8418437 0.74 LMNA (0.42) HSD17B10LMNAPTAFRPOLBALDH1A1
SCHEMBL7432875 0.74 KMT2A (0.53) TNFMEN1KMT2A
SCHEMBL8779469 0.74 TNF (0.42) PDE4ALMNAPDE4BPDE4CPDE4D
SCHEMBL7856722 0.74 TNF (0.56) PDE4ALMNAPDE4BPDE4CPDE4D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0797437-A1 IMMUNOTHERAPEUTIC IMIDES/AMIDES AND THEIR USE FOR REDUCING LEVELS OF TNF$g(a) CELGENE CORPORATION (US) 1997-10-01 EP disclosed
WO-1996020705-A1 IMMUNOTHERAPEUTIC IMIDES/AMIDES AND THEIR USE FOR REDUCING LEVELS OF TNF$g(a) CELGENE CORPORATION (US) 1996-07-11 WO disclosed