SCHEMBL3752990

SCHEMBL3752990

COc1cc2[nH]c(CC(O)(CC(C)(CF)c3cc(F)ccc3C)C(F)F)cc2cn1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 20/20 0.49
CYP3A4 P08684 7/20 0.49
NR3C2 P08235 13/20 0.47
PGR P06401 9/20 0.47
KCNH2 Q12809 1/20 0.42

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
SCHEMBL3685155 0.86 NR3C1 (0.63) NR3C1CYP3A4NR3C2PGRKCNH2
SCHEMBL3748995 0.85 NR3C1 (0.69) NR3C1CYP3A4NR3C2PGRKCNH2
SCHEMBL3746290 0.85 NR3C1 (0.52) NR3C1CYP3A4NR3C2PGR
SCHEMBL3755290 0.85 NR3C1 (0.54) NR3C1CYP3A4NR3C2PGR
SCHEMBL6669693 0.82 NR3C1 (0.64) NR3C1CYP3A4NR3C2PGR
SCHEMBL4555711 0.82 NR3C1 (0.54) NR3C1CYP3A4NR3C2PGRKCNH2
SCHEMBL293317 0.80 NR3C1 (0.73) NR3C1CYP3A4NR3C2PGRKCNH2
SCHEMBL4555971 0.80 NR3C1 (0.64) NR3C1CYP3A4NR3C2PGR
SCHEMBL4552144 0.79 NR3C1 (0.44) NR3C1CYP3A4NR3C2PGRKCNH2
SCHEMBL6669369 0.79 NR3C1 (0.53) NR3C1CYP3A4NR3C2PGRKCNH2

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