SCHEMBL13639301

SCHEMBL13639301

COC(=O)Oc1ccc(-c2ccc3c(c2COc2cc(F)ccc2C)NC(=O)C(C)(C)N3)c(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.60
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
GRIN1 Q05586 4/20 0.32
GRIN2B Q13224 4/20 0.32
MDM2 Q00987 1/20 0.32
LPAR2 Q9HBW0 1/20 0.31
MOGAT2 Q3SYC2 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
SYK P43405 1/20 0.30
CASP3 P42574 1/20 0.30
CDK9 P50750 1/20 0.30
CASP7 P55210 1/20 0.30
ABL1 P00519 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
SCHEMBL13639328 0.91 IL6 (0.55) IL6FFAR1FFAR4MDM2
SCHEMBL13639334 0.89 IL6 (0.54) IL6MAPTABL1
SCHEMBL13639320 0.87 IL6 (0.63) IL6FFAR1FFAR4GRIN1GRIN2B
SCHEMBL13639356 0.87 IL6 (0.50) IL6GRIN1GRIN2B
SCHEMBL13639310 0.86 IL6 (0.51) IL6MAPTHTT
SCHEMBL13639317 0.86 IL6 (0.51) IL6MAPTHTTSYK
SCHEMBL4141576 0.86 IL6 (0.81) IL6FFAR1FFAR4GRIN1GRIN2B
SCHEMBL13639295 0.85 IL6 (0.53) IL6FFAR1FFAR4GRIN1GRIN2B
SCHEMBL1314920 0.83 IL6 (0.55) IL6
SCHEMBL13460051 0.81 IL6 (0.50) IL6MOGAT2CDK9

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