SCHEMBL4558038

SCHEMBL4558038

COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(C(=O)N3CCC(O)CC3)ccc2[nH]1)C(F)(F)F.NC(=O)CO

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 20/20 0.63
NR3C2 P08235 16/20 0.63
PGR P06401 14/20 0.63
CYP3A4 P08684 2/20 0.53

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
SCHEMBL292319 0.96 NR3C1 (0.69) NR3C1NR3C2PGRCYP3A4
SCHEMBL4555748 0.93 NR3C1 (0.65) NR3C1NR3C2PGRCYP3A4
SCHEMBL292734 0.92 NR3C1 (0.67) NR3C1NR3C2PGRCYP3A4
SCHEMBL293515 0.88 NR3C1 (0.73) NR3C1NR3C2PGRCYP3A4
SCHEMBL292292 0.88 NR3C1 (0.72) NR3C1NR3C2PGRCYP3A4
SCHEMBL292075 0.87 NR3C1 (0.71) NR3C1NR3C2PGRCYP3A4
SCHEMBL292257 0.86 NR3C1 (0.70) NR3C1NR3C2PGRCYP3A4
SCHEMBL291658 0.86 NR3C1 (0.70) NR3C1NR3C2PGRCYP3A4
SCHEMBL14158607 0.86 NR3C1 (0.65) NR3C1NR3C2PGRCYP3A4
SCHEMBL292412 0.83 NR3C1 (0.81) 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 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