SCHEMBL3836633

SCHEMBL3836633

C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OP(=O)(O)O)C(=O)CO.[NaH].[NaH]

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 14/20 0.75
MMP1 P03956 11/20 0.75
CYP3A4 P08684 5/20 0.74
PGR P06401 5/20 0.74
MEN1 O00255 2/20 0.74
KMT2A Q03164 2/20 0.74
USP2 O75604 1/20 0.74
HIF1A Q16665 2/20 0.72
HSD17B10 Q99714 2/20 0.72
TSHR P16473 2/20 0.72
NFKB1 P19838 2/20 0.72
AR P10275 2/20 0.72
CYP2D6 P10635 1/20 0.72
APEX1 P27695 1/20 0.72
PMP22 Q01453 1/20 0.72
NPSR1 Q6W5P4 1/20 0.72
IKBKB O14920 1/20 0.72
CHUK O15111 1/20 0.72
ADRB2 P07550 1/20 0.72
NR3C2 P08235 1/20 0.72

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
SCHEMBL2123848 1.00 NR3C1 (0.75) NR3C1MMP1CYP3A4PGRMEN1
SCHEMBL3126388 1.00 NR3C1 (0.75) NR3C1MMP1CYP3A4PGRMEN1
SCHEMBL1301198 1.00 NR3C1 (0.75) NR3C1MMP1CYP3A4PGRMEN1
SCHEMBL5912759 1.00 NR3C1 (0.75) NR3C1MMP1CYP3A4PGRMEN1
SCHEMBL73249 0.99 NR3C1 (0.76) NR3C1MMP1CYP3A4PGRMEN1
SCHEMBL2898449 0.99 NR3C1 (0.76) NR3C1MMP1CYP3A4PGRMEN1
SCHEMBL15671680 0.99 NR3C1 (0.76) NR3C1MMP1CYP3A4PGRMEN1
Water SCHEMBL201856 0.98 NR3C1 (0.75) NR3C1MMP1CYP3A4PGRMEN1
Dexamethasone SCHEMBL3404392 0.95 HIF1A (0.82) NR3C1MMP1CYP3A4PGRMEN1
SCHEMBL11064010 0.94 NR3C1 (0.72) NR3C1MMP1CYP3A4PGRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581185-B1 LIPOSOMAL GLUCOCORTICOIDS NOVOSOM AG (DE) 2009-10-14 EP claimed
US-20060147511-A1 Liposomal glucocorticoids PANZNER STEFFEN 2006-07-06 US claimed
US-20040063678-A1 Dexamethasone Gel BAUSCH & LOMB INCORPORATED (US) 2004-04-01 US claimed
US-20060147511-A1 Liposomal glucocorticoids PANZNER STEFFEN 2006-07-06 US disclosed
US-20040063678-A1 Dexamethasone Gel BAUSCH & LOMB INCORPORATED (US) 2004-04-01 US disclosed