SCHEMBL11044625

SCHEMBL11044625

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

nearest known ligand 0.85

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 8/20 0.85
PGR P06401 4/20 0.83
NR3C1 P04150 3/20 0.83
HIF1A Q16665 8/20 0.81
KMT2A Q03164 2/20 0.81
AR P10275 3/20 0.72
CHRM1 P11229 2/20 0.72
CYP2C19 P33261 2/20 0.69
HSD17B10 Q99714 2/20 0.69
SERPINA6 P08185 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
CYP3A4 P08684 2/20 0.69
SHBG P04278 1/20 0.69
MAPT P10636 1/20 0.69
NFKB1 P19838 1/20 0.69
LMNA P02545 2/20 0.61

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
SCHEMBL11044616 1.00 NR3C2 (0.85) NR3C2PGRNR3C1HIF1AKMT2A
SCHEMBL10945204 0.93 NR3C2 (0.84) NR3C2PGRNR3C1HIF1AKMT2A
SCHEMBL10945172 0.93 NR3C2 (0.84) NR3C2PGRNR3C1HIF1AKMT2A
SCHEMBL14936105 0.92 NR3C2 (1.00) NR3C2PGRNR3C1HIF1AKMT2A
SCHEMBL180224 0.92 NR3C2 (1.00) NR3C2PGRNR3C1HIF1AKMT2A
SCHEMBL3050557 0.92 NR3C2 (1.00) NR3C2PGRNR3C1HIF1AKMT2A
SCHEMBL10944194 0.92 NR3C2 (0.86) NR3C2PGRNR3C1HIF1AKMT2A
SCHEMBL10944209 0.92 NR3C2 (0.86) NR3C2PGRNR3C1HIF1AKMT2A
Hydrocortisone Butyrate SCHEMBL14473210 0.91 NR3C2 (1.00) NR3C2PGRNR3C1HIF1AKMT2A
Hydrocortisone Butyrate SCHEMBL21111521 0.91 NR3C2 (1.00) NR3C2PGRNR3C1HIF1AKMT2A

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-4435390-A Hydrocortisone derivatives, the preparation and use thereof SCHERING AKTIENGESELLSCHAFT (DE) 1984-03-06 US claimed
EP-0072546-A1 Hydrocortisone derivatives, their preparation and their utilization SCHERING AKTIENGESELLSCHAFT (DE) 1983-02-23 EP claimed
US-4435390-A Hydrocortisone derivatives, the preparation and use thereof SCHERING AKTIENGESELLSCHAFT (DE) 1984-03-06 US disclosed