SCHEMBL4553729

SCHEMBL4553729

CC(C)(CC(O)(Cc1cc2ccc(C(=O)N3CCOCC3)cc2[nH]1)C(F)(F)F)c1cc(F)ccc1O.CN(C)C(=O)c1ccc2cc(CC(O)(CC(C)(C)c3cc(F)ccc3O)C(F)(F)F)[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 19/20 0.53
NR3C2 P08235 13/20 0.53
PGR P06401 13/20 0.53
CYP3A4 P08684 7/20 0.50
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45

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
SCHEMBL292311 0.95 NR3C1 (0.59) NR3C1NR3C2PGRCYP3A4HSP90AA1
SCHEMBL4037923 0.92 NR3C1 (0.63) NR3C1NR3C2PGRCYP3A4
SCHEMBL292779 0.90 NR3C1 (0.64) NR3C1NR3C2PGRCYP3A4
SCHEMBL290890 0.86 NR3C1 (0.70) NR3C1NR3C2PGRCYP3A4
SCHEMBL27748539 0.82 NR3C1 (0.54) NR3C1NR3C2PGRCYP3A4
SCHEMBL292122 0.81 NR3C1 (0.67) NR3C1NR3C2PGRCYP3A4
SCHEMBL447415 0.80 NR3C1 (0.66) NR3C1NR3C2PGRCYP3A4
SCHEMBL291658 0.80 NR3C1 (0.70) NR3C1NR3C2PGRCYP3A4
SCHEMBL676369 0.80 NR3C1 (0.78) NR3C1NR3C2PGRCYP3A4
SCHEMBL27781968 0.79 NR3C1 (0.60) NR3C1NR3C2PGRCYP3A4

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-2056799-A2 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING GLAUCOMA OR PROGRESSION THEREOF Bausch & Lomb Incorporated (US) 2009-05-13 EP disclosed
WO-2008027796-A2 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING GLAUCOMA OR PROGRESSION THEREOF BAUSCH & LOMB INCORPORATED (US) 2008-03-06 WO disclosed