SCHEMBL4464741

SCHEMBL4464741

CC(CF)(CC(O)(Cc1cc2ccncc2[nH]1)C(F)F)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 20/20 0.60
NR3C2 P08235 14/20 0.60
PGR P06401 9/20 0.60
CYP3A4 P08684 1/20 0.45

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
SCHEMBL3649037 0.92 NR3C1 (0.50) NR3C1NR3C2PGRCYP3A4
SCHEMBL4555162 0.91 NR3C1 (0.56) NR3C1NR3C2PGRCYP3A4
SCHEMBL4044134 0.91 NR3C1 (0.62) NR3C1NR3C2PGRCYP3A4
SCHEMBL3657196 0.83 NR3C1 (0.52) NR3C1NR3C2PGRCYP3A4
SCHEMBL6669693 0.82 NR3C1 (0.64) NR3C1NR3C2PGRCYP3A4
SCHEMBL3652210 0.81 NR3C1 (0.41) NR3C1NR3C2PGR
SCHEMBL3658109 0.81 NR3C1 (0.46) NR3C1NR3C2PGR
SCHEMBL4447862 0.80 NR3C1 (0.71) NR3C1NR3C2PGRCYP3A4
SCHEMBL3650787 0.80 NR3C1 (0.64) NR3C1NR3C2PGRCYP3A4
SCHEMBL3657603 0.79 NR3C1 (0.46) NR3C1NR3C2PGRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012170175-A1 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, OR AMELIORATING INFLAMMATORY PAIN BAUSCH & LOMB INCORPORATED (US) 2012-12-13 WO disclosed
EP-2051736-A2 COMPOSITIONS COMPRISING A DISSOCIATED GLUCOCORTICOID RECEPTOR AGONIST AND AN IMMUNOSUPPRESSIVE AGENT FOR TREATING DRY EYE Bausch & Lomb Incorporated (US) 2009-04-29 EP disclosed
WO-2008005686-A2 COMPOSITIONS COMPRISING A DISSOCIATED GLUCOCORTICOID RECEPTOR AGONIST AND AN IMMUNOSUPPRESSIVE AGENT FOR TREATING DRY EYE BAUSCH & LOMB INCORPORATED (US) 2008-01-10 WO disclosed
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