SCHEMBL291392

SCHEMBL291392

COc1ccc(F)cc1C(C)C(C)C(O)(Cc1cc2ccnc(F)c2[nH]1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 20/20 0.43
NR3C2 P08235 16/20 0.43
PGR P06401 10/20 0.43
CYP3A4 P08684 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
SCHEMBL450470 0.76 NR3C1 (0.73) NR3C1NR3C2PGRCYP3A4
SCHEMBL3684073 0.71 NR3C1 (0.42) NR3C1NR3C2PGRCYP3A4
SCHEMBL1932525 0.70 NR3C1 (0.58) NR3C1NR3C2PGRCYP3A4
SCHEMBL5521098 0.68 NR3C1 (0.39) NR3C1NR3C2PGR
SCHEMBL10313415 0.67 NR3C1 (0.69) NR3C1NR3C2PGRCYP3A4
SCHEMBL292335 0.67 NR3C1 (0.69) NR3C1NR3C2PGRCYP3A4
SCHEMBL5936548 0.66 NR3C2 (0.39) NR3C1NR3C2PGR
SCHEMBL14340546 0.65 NR3C1 (0.71) NR3C1NR3C2PGRCYP3A4
SCHEMBL14163720 0.64 NR3C1 (0.42) NR3C1NR3C2PGR
SCHEMBL2567840 0.64 NR3C1 (0.52) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049112-B1 TREATING INFECTIONS AND SEQUELAE THEREOF WITH COMBINED DISSOCIATED GLUCOCORTICOID RECEPTOR AGONISTS AND ANTI-INFECTIVE AGENTS BAUSCH & LOMB (US) 2012-03-14 EP disclosed