SCHEMBL13639347

SCHEMBL13639347

COc1cc(OC(=O)c2occc2C)ccc1-c1ccc2c(c1COC(=O)c1ccc(C)s1)NC(=O)C(C)(C)N2

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IL6 P05231 6/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
FPR1 P21462 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL4135649 0.87 IL6 (0.48) IL6LMNATP53MAPTHTT
SCHEMBL1780249 0.85 MAPT (0.42) LMNATP53MAPTHTTNPSR1
SCHEMBL1918849 0.84 IL6 (0.37) IL6LMNA
SCHEMBL4581249 0.82 IL6 (0.41) IL6LMNA
SCHEMBL14878811 0.82 IL6 (0.36) IL6KMT2A
SCHEMBL4581943 0.80 IL6 (0.33) IL6LMNAMAPTKMT2A
SCHEMBL4135970 0.79 IL6 (0.43) IL6LMNAMAPTGAAKMT2A
SCHEMBL4140091 0.78 IL6 (0.47) IL6LMNATP53MAPTHTT
SCHEMBL13571961 0.77 IL6 (0.47) IL6LMNA
SCHEMBL1782536 0.76 MAPT (0.57) LMNATP53MAPTHTTNPSR1

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
EP-1995242-B1 NOVEL 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY SANTEN PHARMACEUTICAL CO LTD (JP) 2012-11-07 EP disclosed