SCHEMBL13639328

SCHEMBL13639328

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

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.55
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
ELANE P08246 1/20 0.31
MDM2 Q00987 1/20 0.31
GPBAR1 Q8TDU6 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
SCHEMBL13639301 0.91 IL6 (0.60) IL6FFAR1FFAR4MDM2
SCHEMBL13639334 0.88 IL6 (0.54) IL6
SCHEMBL13639320 0.88 IL6 (0.63) IL6FFAR1FFAR4
SCHEMBL4579570 0.85 IL6 (0.75) IL6FFAR1FFAR4
SCHEMBL13639310 0.85 IL6 (0.51) IL6
SCHEMBL13639317 0.85 IL6 (0.51) IL6
SCHEMBL13639356 0.84 IL6 (0.50) IL6
SCHEMBL13639295 0.83 IL6 (0.53) IL6FFAR1FFAR4MDM2GPBAR1
SCHEMBL1315597 0.83 IL6 (0.50) IL6
SCHEMBL13460051 0.80 IL6 (0.50) IL6

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