SCHEMBL4554745

SCHEMBL4554745

COc1ccc(F)cc1C(C)(CF)CC(O)(Cc1[nH]c2cnccc2c1C)C(F)F

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 20/20 0.54
PGR P06401 7/20 0.54
CYP3A4 P08684 1/20 0.54
NR3C2 P08235 13/20 0.49

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
SCHEMBL4553625 0.93 NR3C1 (0.49) NR3C1PGRCYP3A4NR3C2
SCHEMBL6668738 0.88 NR3C1 (0.47) NR3C1PGRNR3C2
SCHEMBL4447862 0.83 NR3C1 (0.71) NR3C1PGRCYP3A4NR3C2
SCHEMBL4556027 0.82 NR3C1 (0.54) NR3C1PGRCYP3A4NR3C2
SCHEMBL3688034 0.81 NR3C1 (0.67) NR3C1PGRNR3C2
SCHEMBL291973 0.80 NR3C1 (0.80) NR3C1PGRCYP3A4NR3C2
SCHEMBL3689474 0.79 NR3C1 (0.65) NR3C1PGRCYP3A4NR3C2
SCHEMBL4556423 0.79 NR3C1 (0.52) NR3C1PGRNR3C2
SCHEMBL451275 0.76 NR3C1 (0.56) NR3C1PGRNR3C2
SCHEMBL3650787 0.76 NR3C1 (0.64) NR3C1PGRCYP3A4NR3C2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012170175-A1 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, OR AMELIORATING INFLAMMATORY PAIN BAUSCH & LOMB INCORPORATED (US) 2012-12-13 WO disclosed
EP-2061444-A2 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, AMELIORATING, OR PREVENTING ALLERGY Bausch & Lomb Incorporated (US) 2009-05-27 EP disclosed
WO-2008033655-A2 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, AMELIORATING, OR PREVENTING ALLERGY BAUSCH & LOMB INCORPORATED (US) 2008-03-20 WO disclosed