SCHEMBL6671996

SCHEMBL6671996

COc1cc(F)ccc1C(C)(CCc1cc2cccc(F)c2[nH]1)CC(C)O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 19/20 0.52
NR3C2 P08235 15/20 0.52
PGR P06401 11/20 0.52
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
CYP3A4 P08684 1/20 0.35

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
SCHEMBL6671997 0.83 NR3C1 (0.54) NR3C1NR3C2PGRMTNR1AMTNR1B
SCHEMBL6671994 0.75 NR3C1 (0.72) NR3C1NR3C2PGRCYP3A4
SCHEMBL1635100 0.74 NR3C1 (0.85) NR3C1NR3C2PGRCYP3A4
SCHEMBL27748428 0.72 NR3C1 (0.57) NR3C1NR3C2PGR
SCHEMBL1633711 0.68 NR3C1 (1.00) NR3C1NR3C2PGRCYP3A4
SCHEMBL3658141 0.67 NR3C1 (0.55) NR3C1NR3C2PGR
SCHEMBL7808561 0.64 MTNR1A (0.61) NR3C1NR3C2PGRMTNR1AMTNR1B
SCHEMBL1634224 0.63 NR3C2 (0.44) NR3C1NR3C2PGR
SCHEMBL3684852 0.63 NR3C1 (0.37) NR3C1NR3C2PGR
SCHEMBL14340577 0.63 NR3C1 (0.74) 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-1490062-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-12-29 EP disclosed
WO-2003082280-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-10-09 WO disclosed