SCHEMBL11503559

SCHEMBL11503559

C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)C([Na])OC(=O)CCC(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 12/20 0.64
▸ HIF1A Q16665 6/20 0.64
▸ PGR P06401 5/20 0.64
▸ HSD17B10 Q99714 2/20 0.64
▸ CYP3A4 P08684 2/20 0.64
▸ ABCB11 O95342 1/20 0.64
▸ TNF P01375 1/20 0.64
▸ IL6 P05231 1/20 0.64
▸ SERPINA6 P08185 1/20 0.64
▸ NR3C2 P08235 1/20 0.64
▸ AR P10275 1/20 0.64
▸ GLUL P15104 1/20 0.64
▸ ADAM17 P78536 1/20 0.64
▸ GPBAR1 Q8TDU6 1/20 0.64
▸ CYP2C19 P33261 1/20 0.64
▸ LMNA P02545 3/20 0.63
▸ KMT2A Q03164 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ NR1I2 O75469 1/20 0.51
▸ CNR1 P21554 1/20 0.51

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
SCHEMBL4594076 0.87 HIF1A (0.52) NR3C1HIF1APGRHSD17B10CYP3A4
SCHEMBL978964 0.86 NR3C1 (0.74) NR3C1HIF1APGRHSD17B10CYP3A4
Prednisolone Hemisuccinate SCHEMBL7155955 0.86 HIF1A (0.84) NR3C1HIF1APGRHSD17B10CYP3A4
SCHEMBL4351238 0.85 HIF1A (0.73) NR3C1HIF1APGRHSD17B10CYP3A4
Prednisolone Hemisuccinate SCHEMBL25138782 0.85 HIF1A (0.85) NR3C1HIF1APGRHSD17B10CYP3A4
Prednisolone Hemisuccinate SCHEMBL13026153 0.85 HIF1A (0.85) NR3C1HIF1APGRHSD17B10CYP3A4
Prednisolone Hemisuccinate SCHEMBL945987 0.85 HIF1A (0.85) NR3C1HIF1APGRHSD17B10CYP3A4
Prednisolone Hemisuccinate SCHEMBL16009511 0.85 HIF1A (0.85) NR3C1HIF1APGRHSD17B10CYP3A4
Prednisolone Hemisuccinate SCHEMBL12540510 0.85 HIF1A (0.85) NR3C1HIF1APGRHSD17B10CYP3A4
Prednisolone Hemisuccinate SCHEMBL139689 0.85 HIF1A (0.85) NR3C1HIF1APGRHSD17B10CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4178361-A Sustained release pharmaceutical composition UNION CORPORATION (US) 1979-12-11 — — US disclosed
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