SCHEMBL5744672

SCHEMBL5744672

CC(C)(CC(O)(CC1CCCCC1)C(=O)Nc1cc(Cl)cc(Cl)c1)c1cc(F)ccc1O

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 13/20 0.67
PGR P06401 13/20 0.67
NR3C2 P08235 8/20 0.67
AR P10275 1/20 0.40
GRM4 Q14833 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL5742193 0.91 NR3C1 (0.69) NR3C1PGRNR3C2ARNPC1
SCHEMBL5744285 0.90 NR3C1 (0.68) NR3C1PGRNR3C2ARNPC1
SCHEMBL4619251 0.89 NR3C1 (0.72) NR3C1PGRNR3C2AR
SCHEMBL5740864 0.88 NR3C1 (0.54) NR3C1PGRNR3C2AR
SCHEMBL5742841 0.88 NR3C1 (0.66) NR3C1PGRNR3C2ARRAB9A
SCHEMBL4137958 0.82 NR3C1 (0.60) NR3C1PGRNR3C2ARNPC1
SCHEMBL4616683 0.81 NR3C1 (0.58) NR3C1PGRNR3C2AR
SCHEMBL293071 0.81 PGR (1.00) NR3C1PGRNR3C2
SCHEMBL5742909 0.80 NR3C1 (0.66) NR3C1PGRNR3C2AR
SCHEMBL292715 0.80 PGR (0.98) NR3C1PGRNR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1467982-B1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL FORMULATIONS CONTAINING THEM, AND USES THEREOF BOEHRINGER INGELHEIM PHARMA (US) 2006-11-22 EP claimed
US-7189758-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical formulations, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-03-13 US disclosed
US-7189758-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical formulations, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-03-13 US disclosed
US-6960581-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical formulations, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-11-01 US disclosed