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SCHEMBL9987504

SCHEMBL9987504

COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2c(C)nc(C)cc2[nH]1)C(F)(F)F.COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2cc(C)nc(C)c2[nH]1)C(F)(F)F.Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1[nH]c2cnccc2c1C)C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 20/20 0.67
▸ CYP3A4 P08684 5/20 0.67
▸ PGR P06401 12/20 0.65
▸ NR3C2 P08235 13/20 0.61

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
SCHEMBL15104425 0.95 NR3C1 (0.71) NR3C1CYP3A4PGRNR3C2
SCHEMBL9987502 0.91 NR3C1 (0.57) NR3C1CYP3A4PGRNR3C2
SCHEMBL2565004 0.88 NR3C1 (0.87) NR3C1CYP3A4PGRNR3C2
SCHEMBL291973 0.83 NR3C1 (0.80) NR3C1CYP3A4PGRNR3C2
SCHEMBL15104426 0.83 NR3C1 (0.55) NR3C1CYP3A4PGRNR3C2
SCHEMBL291767 0.83 NR3C1 (0.75) NR3C1CYP3A4PGRNR3C2
SCHEMBL446911 0.82 NR3C1 (1.00) NR3C1CYP3A4PGRNR3C2
SCHEMBL292197 0.80 NR3C1 (1.00) NR3C1CYP3A4PGRNR3C2
SCHEMBL1680338 0.80 NR3C1 (0.73) NR3C1CYP3A4PGRNR3C2
SCHEMBL6385323 0.80 NR3C1 (0.74) NR3C1CYP3A4PGRNR3C2

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