SCHEMBL13639320

SCHEMBL13639320

COc1cc(O)ccc1-c1ccc2c(c1COc1cc(F)ccc1C)NC(=O)C(C)(C)N2

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.63
FFAR1 O14842 2/20 0.35
FFAR4 Q5NUL3 2/20 0.35
ESR1 P03372 1/20 0.33
GRIN1 Q05586 3/20 0.33
GRIN2B Q13224 3/20 0.33
CHEK1 O14757 1/20 0.32
MOGAT2 Q3SYC2 2/20 0.32
HTR2C P28335 1/20 0.32
CTSL P07711 2/20 0.31
CTSB P07858 1/20 0.31

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
SCHEMBL13639295 0.90 IL6 (0.53) IL6FFAR1FFAR4GRIN1GRIN2B
SCHEMBL13639328 0.88 IL6 (0.55) IL6FFAR1FFAR4
SCHEMBL13639301 0.87 IL6 (0.60) IL6FFAR1FFAR4GRIN1GRIN2B
SCHEMBL13639334 0.85 IL6 (0.54) IL6ESR1
SCHEMBL13639316 0.84 IL6 (0.57) IL6GRIN1GRIN2BHTR2C
SCHEMBL13639367 0.83 IL6 (0.48) IL6
SCHEMBL4582029 0.83 IL6 (0.56) IL6ESR1
SCHEMBL1917741 0.83 IL6 (0.89) IL6FFAR1FFAR4ESR1GRIN1
SCHEMBL4145214 0.83 IL6 (0.46) IL6GRIN1GRIN2B
SCHEMBL4136269 0.82 IL6 (0.47) IL6GRIN1GRIN2BMOGAT2

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