SCHEMBL8020744

SCHEMBL8020744

C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COS(C)(=O)=O

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 4/20 0.78
▸ HIF1A Q16665 3/20 0.78
▸ NR3C1 P04150 13/20 0.76
▸ HSD17B10 Q99714 2/20 0.76
▸ CYP3A4 P08684 2/20 0.76
▸ AR P10275 2/20 0.76
▸ ABCB11 O95342 1/20 0.76
▸ TNF P01375 1/20 0.76
▸ IL6 P05231 1/20 0.76
▸ SERPINA6 P08185 1/20 0.76
▸ NR3C2 P08235 1/20 0.76
▸ GLUL P15104 1/20 0.76
▸ ADAM17 P78536 1/20 0.76
▸ GPBAR1 Q8TDU6 1/20 0.76
▸ CYP2C19 P33261 1/20 0.76
▸ LMNA P02545 1/20 0.70
▸ KMT2A Q03164 1/20 0.59
▸ F2 P00734 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
SCHEMBL3214128 1.00 PGR (0.78) PGRHIF1ANR3C1HSD17B10CYP3A4
SCHEMBL8020748 1.00 PGR (0.78) PGRHIF1ANR3C1HSD17B10CYP3A4
SCHEMBL5524342 0.93 PGR (0.78) PGRHIF1ANR3C1HSD17B10CYP3A4
SCHEMBL13596192 0.89 PGR (0.83) PGRHIF1ANR3C1HSD17B10CYP3A4
SCHEMBL13368125 0.89 PGR (0.83) PGRHIF1ANR3C1HSD17B10CYP3A4
SCHEMBL9069792 0.89 HIF1A (0.71) PGRHIF1ANR3C1HSD17B10CYP3A4
SCHEMBL15662128 0.88 PGR (0.78) PGRHIF1ANR3C1HSD17B10CYP3A4
SCHEMBL23633793 0.88 PGR (0.81) PGRHIF1ANR3C1HSD17B10CYP3A4
Prednisolone Acetate SCHEMBL10118889 0.88 HIF1A (1.00) PGRHIF1ANR3C1HSD17B10CYP3A4
Prednisolone Acetate SCHEMBL13044467 0.88 HIF1A (1.00) PGRHIF1ANR3C1HSD17B10CYP3A4

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-0763054-B1 PROCESS FOR PREPARING DELTA 9,11 AND 21-CHLORO CORTICOSTEROIDS SCHERING CORP (US) 2000-01-05 — — EP disclosed
US-5750745-A STEROIDS SCHERING CORPORATION (US) 1998-05-12 — — US disclosed
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