SCHEMBL6665668

SCHEMBL6665668

COc1cccc(C(C)(CF)CC(O)(Cc2cc3ccccc3[nH]2)C(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 10/20 0.42
NR3C2 P08235 9/20 0.42
PGR P06401 9/20 0.42
CYP2D6 P10635 3/20 0.37
AHR P35869 1/20 0.37
CRHBP P24387 2/20 0.35
CRHR2 Q13324 2/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
PDGFRB P09619 3/20 0.35
PDGFRA P16234 3/20 0.35
FLT3 P36888 2/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL3657603 0.87 NR3C1 (0.46) NR3C1NR3C2PGRCYP2D6
SCHEMBL6664544 0.87 NR3C1 (0.40) NR3C1NR3C2PGRCYP2D6
SCHEMBL3658109 0.83 NR3C1 (0.46) NR3C1NR3C2PGRCYP2D6
SCHEMBL3652210 0.83 NR3C1 (0.41) NR3C1NR3C2PGRCYP2D6
SCHEMBL3717021 0.80 NR3C1 (0.39) NR3C1NR3C2PGRCYP2D6
SCHEMBL4468661 0.80 NR3C1 (0.44) NR3C1NR3C2PGRCYP2D6
SCHEMBL3741669 0.78 NR3C1 (0.39) NR3C1NR3C2PGR
SCHEMBL3658504 0.77 NR3C1 (0.38) NR3C1NR3C2PGRCYP2D6
SCHEMBL4464741 0.77 NR3C1 (0.60) NR3C1NR3C2PGR
SCHEMBL3649037 0.77 NR3C1 (0.50) NR3C1NR3C2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1490062-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-12-29 EP disclosed
WO-2003082280-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-10-09 WO disclosed