SCHEMBL4284978

SCHEMBL4284978

Cc1c(F)cccc1C(C)(C)C[C@](O)(Cc1cc2ccncc2[nH]1)C1CC1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 20/20 0.67
NR3C2 P08235 14/20 0.63
PGR P06401 9/20 0.52
CYP3A4 P08684 1/20 0.52

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
SCHEMBL4284983 0.84 NR3C1 (0.76) NR3C1NR3C2PGRCYP3A4
SCHEMBL292126 0.84 NR3C1 (0.86) NR3C1NR3C2PGRCYP3A4
SCHEMBL1634217 0.80 NR3C1 (1.00) NR3C1NR3C2PGR
SCHEMBL292521 0.77 NR3C1 (1.00) NR3C1NR3C2PGR
SCHEMBL292195 0.77 NR3C1 (1.00) NR3C1NR3C2PGR
SCHEMBL292264 0.77 NR3C1 (1.00) NR3C1NR3C2PGRCYP3A4
SCHEMBL291520 0.77 NR3C1 (0.98) NR3C1NR3C2PGR
SCHEMBL5813222 0.75 NR3C1 (0.68) NR3C1NR3C2PGRCYP3A4
SCHEMBL1633631 0.74 NR3C1 (0.63) NR3C1NR3C2PGRCYP3A4
SCHEMBL291778 0.74 NR3C1 (0.77) 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-2049112-A2 TREATING INFECTIONS AND SEQUELAE THEREOF WITH COMBINED DISSOCIATED GLUCOCORTICOID RECEPTOR AGONISTS AND ANTI-INFECTIVE AGENTS Bausch & Lomb Incorporated (US) 2009-04-22 EP disclosed
WO-2008021728-A2 TREATING INFECTIONS AND SEQUELAE THEREOF WITH COMBINED DISSOCIATED' GLUCOCORTICOID RECEPTOR AGONISTS AND ANTI-INFECTIVE AGENTS BAUSCH & LOMB INCORPORATED (US) 2008-02-21 WO disclosed