SCHEMBL9987964

SCHEMBL9987964

COc1cc2cc(CC(O)(CC(C)(CC(C(C)(C)c3cc(F)ccc3C)C(O)(Cc3cc4cc(OC)ncc4[nH]3)C(F)(F)F)c3cc(Cl)cc4c3OCC4)C(F)(F)F)[nH]c2cn1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 20/20 0.52
PGR P06401 12/20 0.52
NR3C2 P08235 10/20 0.52
CYP3A4 P08684 10/20 0.52
KCNH2 Q12809 1/20 0.44

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
SCHEMBL1680240 0.91 NR3C1 (0.57) NR3C1PGRNR3C2CYP3A4KCNH2
SCHEMBL9987961 0.88 NR3C1 (0.65) NR3C1PGRNR3C2CYP3A4KCNH2
SCHEMBL292562 0.82 NR3C1 (0.73) NR3C1PGRNR3C2CYP3A4
SCHEMBL1680239 0.80 NR3C1 (0.69) NR3C1PGRNR3C2CYP3A4KCNH2
SCHEMBL293094 0.76 NR3C1 (0.70) NR3C1PGRNR3C2CYP3A4
SCHEMBL292807 0.76 NR3C1 (0.82) NR3C1PGRNR3C2CYP3A4KCNH2
SCHEMBL9987160 0.76 NR3C1 (0.52) NR3C1PGRNR3C2
SCHEMBL292934 0.76 NR3C1 (0.72) NR3C1PGRNR3C2CYP3A4
SCHEMBL9987170 0.75 NR3C1 (0.75) NR3C1PGRNR3C2CYP3A4KCNH2
SCHEMBL6383343 0.74 NR3C1 (0.76) NR3C1PGRNR3C2CYP3A4

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-2397140-A1 Compositions and methods for treating or preventing glaucoma or progression thereof BAUSCH & LOMB INCORPORATED (US) 2011-12-21 EP disclosed