SCHEMBL1680227

SCHEMBL1680227

COc1cc(F)ccc1C(C)(C)CC(O)(Cc1cc2nc(C#N)ccc2[nH]1)C(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 20/20 0.65
NR3C2 P08235 16/20 0.65
PGR P06401 13/20 0.65

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
SCHEMBL292255 0.93 NR3C1 (0.75) NR3C1NR3C2PGR
SCHEMBL292235 0.86 NR3C1 (0.68) NR3C1NR3C2PGR
SCHEMBL1635099 0.86 NR3C1 (0.86) NR3C1NR3C2PGR
SCHEMBL9987428 0.85 NR3C1 (0.66) NR3C1NR3C2PGR
SCHEMBL6667729 0.82 NR3C1 (0.86) NR3C1NR3C2PGR
SCHEMBL1635830 0.80 NR3C1 (0.85) NR3C1NR3C2PGR
SCHEMBL1635055 0.79 NR3C1 (0.86) NR3C1NR3C2PGR
SCHEMBL292014 0.79 NR3C1 (0.75) NR3C1NR3C2PGR
SCHEMBL1634230 0.79 NR3C1 (0.65) NR3C1NR3C2PGR
SCHEMBL6383416 0.79 NR3C1 (0.79) NR3C1NR3C2PGR

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-2061444-B1 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, AMELIORATING, OR PREVENTING ALLERGY BAUSCH & LOMB (US) 2011-04-20 EP disclosed