SCHEMBL4415335

SCHEMBL4415335

COc1cc(OS(=O)(=O)c2ccccc2Cl)ccc1-c1ccc2c(c1COc1cc(F)ccc1C)C(C)=CC(C)(C)N2

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.45
PGR P06401 9/20 0.39
NR3C1 P04150 4/20 0.39
ESR1 P03372 1/20 0.39
AR P10275 1/20 0.39
ESR2 Q92731 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL4426059 0.94 IL6 (0.46) IL6PGRNR3C1ESR1AR
SCHEMBL4418092 0.93 IL6 (0.47) IL6PGRNR3C1ESR1AR
SCHEMBL4415311 0.90 IL6 (0.47) IL6PGRNR3C1ESR1AR
SCHEMBL4420373 0.88 MAPT (0.47) IL6PGRNR3C1ESR1AR
SCHEMBL4419607 0.88 IL6 (0.45) IL6PGRNR3C1ESR1AR
SCHEMBL4420398 0.87 MAPT (0.49) IL6PGRNR3C1ESR1AR
SCHEMBL1316189 0.87 IL6 (0.50) IL6PGRNR3C1ESR1AR
SCHEMBL1314982 0.86 IL6 (0.51) IL6PGRNR3C1ESR1AR
SCHEMBL4423701 0.86 IL6 (0.46) IL6PGRNR3C1ESR1AR
SCHEMBL2393223 0.86 IL6 (0.48) IL6PGRNR3C1ESR1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440660-B2 Method for treating a disease related to the glucocorticoid receptor SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-05-14 US disclosed
EP-2085387-B1 NOVEL 1,2-DIHYDROQUINOLINE DERIVATIVE HAVING SUBSTITUTED PHENYLCHALCOGENO LOWER ALKYL GROUP AND ESTER-INTRODUCED PHENYL GROUP AS SUBSTITUENTS SANTEN PHARMACEUTICAL CO LTD (JP) 2013-04-10 EP disclosed
EP-2085387-A1 NOVEL 1,2-DIHYDROQUINOLINE DERIVATIVE HAVING SUBSTITUTED PHENYLCHALCOGENO LOWER ALKYL GROUP AND ESTER-INTRODUCED PHENYL GROUP AS SUBSTITUENTS Santen Pharmaceutical Co., Ltd (JP) 2009-08-05 EP disclosed