SCHEMBL292067

SCHEMBL292067

CC(CC(O)(C(C)n1ccc(=O)c2ccc(F)cc21)C(F)(F)F)c1cc(F)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 11/20 0.43
NR3C2 P08235 9/20 0.43
PGR P06401 9/20 0.43
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
KCNH2 Q12809 1/20 0.31
AR P10275 1/20 0.30

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
SCHEMBL292065 0.77 NR3C1 (0.48) NR3C1NR3C2PGR
SCHEMBL292066 0.73 NR3C1 (0.55) NR3C1NR3C2PGR
SCHEMBL452414 0.65 NR3C1 (0.85) NR3C1NR3C2PGR
SCHEMBL18885180 0.62 RORC (0.58)
SCHEMBL30921781 0.62 PTGDR2 (0.40) NR3C2CYP2C9
SCHEMBL4474045 0.61 NR3C1 (0.80) NR3C1NR3C2PGR
SCHEMBL292090 0.61 NR3C1 (0.79) NR3C1NR3C2PGR
SCHEMBL1680297 0.61 NR3C1 (0.48) NR3C1NR3C2PGRAR
SCHEMBL15991500 0.60 SRC (0.37) CYP1A2CYP3A4CYP2C19
SCHEMBL4466748 0.60 NR3C1 (1.00) 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-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