SCHEMBL4557731

SCHEMBL4557731

Cc1ccc(F)cc1C(C)(CF)CC(O)(Cc1cc2cc(CN3CCOCC3)ncc2[nH]1)C(F)F

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 20/20 0.54
CYP3A4 P08684 12/20 0.54
PGR P06401 7/20 0.48
NR3C2 P08235 6/20 0.48
KCNH2 Q12809 1/20 0.42

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
SCHEMBL3807896 0.84 NR3C1 (0.52) NR3C1CYP3A4PGRNR3C2KCNH2
SCHEMBL292687 0.82 NR3C1 (0.77) NR3C1CYP3A4PGRNR3C2KCNH2
SCHEMBL4554361 0.82 NR3C1 (0.58) NR3C1CYP3A4PGRNR3C2KCNH2
SCHEMBL4555711 0.81 NR3C1 (0.54) NR3C1CYP3A4PGRNR3C2KCNH2
SCHEMBL3685155 0.80 NR3C1 (0.63) NR3C1CYP3A4PGRNR3C2KCNH2
SCHEMBL3748995 0.79 NR3C1 (0.69) NR3C1CYP3A4PGRNR3C2KCNH2
SCHEMBL6669693 0.79 NR3C1 (0.64) NR3C1CYP3A4PGRNR3C2
SCHEMBL9987154 0.78 NR3C1 (0.70) NR3C1CYP3A4PGRNR3C2KCNH2
SCHEMBL3752990 0.76 NR3C1 (0.49) NR3C1CYP3A4PGRNR3C2KCNH2
SCHEMBL6669369 0.75 NR3C1 (0.53) NR3C1CYP3A4PGRNR3C2KCNH2

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-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