SCHEMBL4285504

SCHEMBL4285504

CCCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C

nearest known ligand 0.88

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.88
AR P10275 2/20 0.88
CHRM1 P11229 2/20 0.88
NR3C2 P08235 7/20 0.82
NR3C1 P04150 2/20 0.82
HIF1A Q16665 9/20 0.76
KMT2A Q03164 1/20 0.76
LMNA P02545 2/20 0.71
SERPINA6 P08185 1/20 0.71
SMN1; SMN2 Q16637 2/20 0.64
POLB P06746 1/20 0.64
GAA P10253 1/20 0.64
MAPT P10636 1/20 0.64
PMP22 Q01453 1/20 0.60
TSHR P16473 1/20 0.60
NFKB1 P19838 1/20 0.60
CYP3A4 P08684 1/20 0.58
CYP2C19 P33261 1/20 0.57

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
SCHEMBL4285507 1.00 PGR (0.88) PGRARCHRM1NR3C2NR3C1
SCHEMBL605474 0.95 NR3C2 (0.85) PGRARCHRM1NR3C2NR3C1
SCHEMBL17219849 0.94 PGR (0.80) PGRARCHRM1NR3C2NR3C1
Hydrocortisone Probutate SCHEMBL4280673 0.94 PGR (0.82) PGRARCHRM1NR3C2NR3C1
Hydrocortisone Probutate SCHEMBL4290122 0.94 PGR (0.82) PGRARCHRM1NR3C2NR3C1
SCHEMBL604267 0.94 PGR (0.80) PGRARCHRM1NR3C2NR3C1
Hydrocortisone Probutate SCHEMBL4778 0.94 PGR (0.82) PGRARCHRM1NR3C2NR3C1
Hydrocortisone Probutate SCHEMBL14339602 0.94 PGR (0.82) PGRARCHRM1NR3C2NR3C1
Hydrocortisone Probutate SCHEMBL30507561 0.94 PGR (0.82) PGRARCHRM1NR3C2NR3C1
Hydrocortisone Aceponate SCHEMBL3697 0.94 PGR (1.00) PGRARCHRM1NR3C2NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4902682-A W/O cream containing hydrocortisone diester BEIERSDORF AG (DE) 1990-02-20 US claimed
EP-0217146-A2 W/O creams containing hydrocortisone diesters Beiersdorf Aktiengesellschaft (DE) 1987-04-08 EP claimed
EP-0217141-A2 W/O creams containing 17-propionate-21-acetate Beiersdorf Aktiengesellschaft (DE) 1987-04-08 EP claimed
US-20090233892-A1 Topical Compositions Comprising Hydrocortisone Butyrate GLENMARK GENERICS LTD (IN) 2009-09-17 US disclosed
US-5023251-A Storage stability; skin disorders BEIERSDORF AG (DE) 1991-06-11 US disclosed
US-4902682-A W/O cream containing hydrocortisone diester BEIERSDORF AG (DE) 1990-02-20 US disclosed
EP-0217146-A2 W/O creams containing hydrocortisone diesters Beiersdorf Aktiengesellschaft (DE) 1987-04-08 EP disclosed
EP-0217141-A2 W/O creams containing 17-propionate-21-acetate Beiersdorf Aktiengesellschaft (DE) 1987-04-08 EP disclosed