SCHEMBL10535271

SCHEMBL10535271

CCCC(=O)O[C@@]1(C(=O)COC(=O)CS)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 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 7/20 0.80
PGR P06401 4/20 0.80
NR3C1 P04150 3/20 0.80
AR P10275 2/20 0.75
CHRM1 P11229 2/20 0.75
HIF1A Q16665 8/20 0.74
KMT2A Q03164 1/20 0.74
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 0.61
TSHR P16473 1/20 0.61
NFKB1 P19838 1/20 0.61
LMNA P02545 2/20 0.60
SERPINA6 P08185 1/20 0.60
CYP3A4 P08684 2/20 0.59
USP2 O75604 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55

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
SCHEMBL605474 0.95 NR3C2 (0.85) NR3C2PGRNR3C1ARCHRM1
SCHEMBL10538217 0.95 NR3C2 (0.79) NR3C2PGRNR3C1ARCHRM1
Hydrocortisone Probutate SCHEMBL4290122 0.94 PGR (0.82) NR3C2PGRNR3C1ARCHRM1
Hydrocortisone Probutate SCHEMBL4778 0.94 PGR (0.82) NR3C2PGRNR3C1ARCHRM1
Hydrocortisone Probutate SCHEMBL30507561 0.94 PGR (0.82) NR3C2PGRNR3C1ARCHRM1
Hydrocortisone Probutate SCHEMBL14339602 0.94 PGR (0.82) NR3C2PGRNR3C1ARCHRM1
Hydrocortisone Probutate SCHEMBL4280673 0.94 PGR (0.82) NR3C2PGRNR3C1ARCHRM1
Butixocort SCHEMBL23803956 0.93 NR3C2 (0.86) NR3C2PGRNR3C1ARCHRM1
Butixocort SCHEMBL109157 0.93 NR3C2 (0.86) NR3C2PGRNR3C1ARCHRM1
SCHEMBL4290159 0.92 PGR (0.85) NR3C2PGRNR3C1ARCHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4861765-A 21-alkyl-, cycloalkyl- or aryl-substituted thio steroids and pharmaceutical compositions containing them JOUVEINAL (FR) 1989-08-29 US disclosed
EP-0208202-B1 21-SUBSTITUTED THIOSTEROIDS JOUVEINAL S.A. (FR) 1989-04-19 EP disclosed
EP-0208202-A1 21-Substituted thiosteroids JOUVEINAL S.A. (FR) 1987-01-14 EP disclosed