SCHEMBL5742841

SCHEMBL5742841

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

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 13/20 0.66
PGR P06401 12/20 0.66
NR3C2 P08235 7/20 0.66
P2RX1 P51575 3/20 0.43
TMPRSS4 Q9NRS4 2/20 0.43
AR P10275 1/20 0.41
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
CCR3 P51677 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 0.90 NR3C1 (0.69) NR3C1PGRNR3C2AR
SCHEMBL5744285 0.89 NR3C1 (0.68) NR3C1PGRNR3C2ARRAB9A
SCHEMBL5742856 0.89 NR3C1 (0.53) NR3C1PGRNR3C2AR
SCHEMBL5744672 0.88 NR3C1 (0.67) NR3C1PGRNR3C2ARRAB9A
SCHEMBL4619251 0.88 NR3C1 (0.72) NR3C1PGRNR3C2AR
SCHEMBL4137958 0.81 NR3C1 (0.60) NR3C1PGRNR3C2ARRAB9A
SCHEMBL5740910 0.80 NR3C1 (0.65) NR3C1PGRNR3C2P2RX1TMPRSS4
SCHEMBL4616683 0.80 NR3C1 (0.58) NR3C1PGRNR3C2AR
SCHEMBL293071 0.80 PGR (1.00) NR3C1PGRNR3C2
SCHEMBL292680 0.80 NR3C1 (0.62) NR3C1PGRNR3C2P2RX1TMPRSS4

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