SCHEMBL3680907

SCHEMBL3680907

[CH2]C(O)(CC(C)(C)c1cc(-c2cccnc2)ccc1OC)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 15/20 0.55
NR3C2 P08235 11/20 0.55
PGR P06401 4/20 0.55
CYP19A1 P11511 2/20 0.46
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
NPY5R Q15761 1/20 0.43

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
SCHEMBL4442648 0.87 NR3C1 (0.60) NR3C1NR3C2PGR
SCHEMBL3656890 0.85 NR3C1 (0.62) NR3C1NR3C2PGRCYP19A1CYP11B1
SCHEMBL5780546 0.83 NR3C2 (0.46) NR3C1NR3C2PGR
SCHEMBL3655647 0.79 NPY5R (0.43) NR3C1NR3C2PGRMKNK1MKNK2
SCHEMBL3655849 0.79 NR3C1 (0.43) NR3C1NR3C2PGR
SCHEMBL5525957 0.79 NR3C1 (0.69) NR3C1NR3C2PGR
SCHEMBL5801481 0.78 NR3C1 (0.77) NR3C1NR3C2PGR
SCHEMBL6388026 0.78 NR3C1 (0.89) NR3C1NR3C2PGR
SCHEMBL5524172 0.78 NR3C1 (0.69) NR3C1NR3C2PGR
SCHEMBL6386023 0.78 NR3C1 (0.75) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730145-A1 ALPHA-TRIFLUOROMETHYL ALCOHOLS OR AMINES AS GLUCOCORTICOID MIMETICS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-12-13 EP claimed
WO-2005095401-A1 ALPHA-TRIFLUOROMETHYL ALCOHOLS OR AMINES AS GLUCOCORTICOID MIMETICS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-10-13 WO claimed
EP-2190431-A2 COMPOSITIONS COMPRISING A DISSOCIATED GLUCOCORTICOID RECEPTOR AGONIST FOR TREATING OR CONTROLLING ANTERIOR-SEGMENT INFLAMMATION Bausch & Lomb Incorporated (US) 2010-06-02 EP disclosed
WO-2009023471-A2 COMPOSITIONS COMPRISING A DISSOCIATED GLUCOCORTICOID RECEPTOR AGONIST FOR TREATING OR CONTROLLING ANTERIOR-SEGMENT INFLAMMATION BAUSCH & LOMB INCORPORATED (US) 2009-02-19 WO disclosed