SCHEMBL4420398

SCHEMBL4420398

COc1ccc(S(=O)(=O)Oc2ccc(-c3ccc4c(c3COc3cc(F)ccc3C)C(C)=CC(C)(C)N4)c(OC)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
IL6 P05231 8/20 0.48
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
PTBP1 P26599 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PGR P06401 7/20 0.43
NR3C1 P04150 3/20 0.38
ESR1 P03372 1/20 0.38
AR P10275 1/20 0.38
ESR2 Q92731 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL4420373 0.95 MAPT (0.47) MAPTALDH1A1HPGDHTTNPSR1
SCHEMBL4415311 0.95 IL6 (0.47) MAPTALDH1A1HPGDHTTNPSR1
SCHEMBL4423701 0.93 IL6 (0.46) MAPTALDH1A1HPGDHTTNPSR1
SCHEMBL1316189 0.90 IL6 (0.50) MAPTALDH1A1HPGDHTTNPSR1
SCHEMBL4419607 0.90 IL6 (0.45) MAPTALDH1A1HPGDHTTNPSR1
SCHEMBL1314982 0.90 IL6 (0.51) MAPTALDH1A1HPGDHTTNPSR1
SCHEMBL2393561 0.89 IL6 (0.53) MAPTALDH1A1IL6MEN1KMT2A
SCHEMBL4418092 0.89 IL6 (0.47) MAPTALDH1A1HPGDHTTNPSR1
SCHEMBL1314653 0.89 IL6 (0.49) MAPTALDH1A1HPGDHTTNPSR1
SCHEMBL4424483 0.89 IL6 (0.51) MAPTALDH1A1HPGDHTTNPSR1

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