SCHEMBL9836047

SCHEMBL9836047

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)COC(=O)c1cccc(CCl)c1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 4/20 0.71
▸ HIF1A Q16665 3/20 0.71
▸ LMNA P02545 1/20 0.65
▸ NR3C1 P04150 13/20 0.64
▸ HSD17B10 Q99714 2/20 0.64
▸ CYP3A4 P08684 2/20 0.64
▸ AR P10275 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
▸ GLUL P15104 1/20 0.64
▸ ADAM17 P78536 1/20 0.64
▸ GPBAR1 Q8TDU6 1/20 0.64
▸ CYP2C19 P33261 1/20 0.64
▸ KMT2A Q03164 1/20 0.57
▸ F2 P00734 1/20 0.53

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
SCHEMBL4103929 0.91 PGR (0.75) PGRHIF1ALMNANR3C1HSD17B10
SCHEMBL28852123 0.90 HIF1A (0.73) PGRHIF1ALMNANR3C1HSD17B10
SCHEMBL13655915 0.90 HIF1A (0.67) PGRHIF1ALMNANR3C1HSD17B10
SCHEMBL27462874 0.89 HIF1A (0.72) PGRHIF1ALMNANR3C1HSD17B10
SCHEMBL9838110 0.88 HIF1A (0.65) PGRHIF1ALMNANR3C1HSD17B10
SCHEMBL9836144 0.88 HIF1A (0.54) PGRHIF1ALMNANR3C1HSD17B10
Prednisolone Metazoate SCHEMBL2916561 0.88 PGR (0.70) PGRHIF1ALMNANR3C1HSD17B10
Prednisolone Metazoate SCHEMBL5483006 0.87 PGR (0.69) PGRHIF1ALMNANR3C1HSD17B10
Prednisolone Metazoate SCHEMBL5013651 0.86 PGR (0.68) PGRHIF1ALMNANR3C1HSD17B10
Prednisolone Metazoate SCHEMBL1042225 0.86 PGR (0.68) PGRHIF1ALMNANR3C1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0454773-A1 NOVEL PRODRUG DERIVATIVES OF BIOLOGICALLY ACTIVE AGENTS CONTAINING HYDROXYL GROUPS OR NH-ACIDIC GROUPS Bundgaard, Hans (DK) 1991-11-06 — — EP disclosed
WO-1990008128-A1 NOVEL PRODRUG DERIVATIVES OF BIOLOGICALLY ACTIVE AGENTS CONTAINING HYDROXYL GROUPS OR NH-ACIDIC GROUPS BUNDGAARD HANS (DK) 1990-07-26 — — WO disclosed
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