SCHEMBL3686287

SCHEMBL3686287

[CH2]C(O)(CC(C)(C)c1c(OC)ccc(F)c1F)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 18/20 0.39
NR3C2 P08235 10/20 0.39
PGR P06401 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL3648970 0.82
SCHEMBL3684692 0.79 NR3C2 (0.43) NR3C1NR3C2
SCHEMBL29114193 0.78 HTR2A (0.40) NR3C1NR3C2HTR2AHTR2CHTR2B
SCHEMBL3652051 0.76 NR3C2 (0.65) NR3C1NR3C2PGR
SCHEMBL10300148 0.74 HTR2A (0.41) NR3C1NR3C2HTR2AHTR2CHTR2B
SCHEMBL3685002 0.72 NR3C1 (0.49) NR3C1NR3C2PGR
SCHEMBL3949801 0.71 AR (0.30) NR3C1NR3C2
SCHEMBL13748809 0.70 HTR2A (0.44) HTR2AHTR2CHTR2B
SCHEMBL3689211 0.69 NR3C2 (0.46) NR3C1NR3C2
SCHEMBL4442648 0.68 NR3C1 (0.60) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190431-A2 COMPOSITIONS COMPRISING A DISSOCIATED GLUCOCORTICOID RECEPTOR AGONIST FOR TREATING OR CONTROLLING ANTERIOR-SEGMENT INFLAMMATION Bausch & Lomb Incorporated (US) 2010-06-02 EP disclosed
WO-2009023471-A2 COMPOSITIONS COMPRISING A DISSOCIATED GLUCOCORTICOID RECEPTOR AGONIST FOR TREATING OR CONTROLLING ANTERIOR-SEGMENT INFLAMMATION BAUSCH & LOMB INCORPORATED (US) 2009-02-19 WO disclosed