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Mespirenone

Mespirenone

SCHEMBL5796167

CC(=O)S[C@@H]1CC2=CC(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H]([C@@H]4C[C@@H]4[C@@]34CCC(=O)O4)[C@H]12.COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@H]12

nearest known ligand 0.61

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 12/20 0.61
▸ AR P10275 11/20 0.61
▸ NR3C1 P04150 5/20 0.61
▸ LMNA P02545 4/20 0.61
▸ NR3C2 P08235 3/20 0.61
▸ CHRM2 P08172 3/20 0.61
▸ ABCB11 O95342 2/20 0.61
▸ HTR2B P41595 2/20 0.61
▸ CYP3A4 P08684 2/20 0.61
▸ OPRK1 P41145 2/20 0.61
▸ NFKB1 P19838 1/20 0.61
▸ HIF1A Q16665 1/20 0.61
▸ ESR1 P03372 1/20 0.61
▸ ABCB1 P08183 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ ADRA1A P35348 1/20 0.61
▸ ESR2 Q92731 1/20 0.61
▸ SLC47A1 Q96FL8 1/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ MAPT P10636 1/20 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
Mespirenone SCHEMBL637071 0.84 PGR (0.48) PGRARNR3C1LMNANR3C2
Mespirenone SCHEMBL18218179 0.84 PGR (0.48) PGRARNR3C1LMNANR3C2
SCHEMBL11028634 0.83 PGR (0.49) PGRARNR3C1LMNANR3C2
SCHEMBL11028223 0.81 PGR (0.62) PGRARNR3C1LMNANR3C2
SCHEMBL8002315 0.79 LMNA (0.71) PGRARNR3C1LMNANR3C2
SCHEMBL20553 0.78 NR3C1 (0.69) PGRARNR3C1LMNANR3C2
SCHEMBL19887684 0.78 NR3C1 (0.69) PGRARNR3C1LMNANR3C2
SCHEMBL14285031 0.78 NR3C1 (0.69) PGRARNR3C1LMNANR3C2
SCHEMBL14284891 0.78 NR3C1 (0.69) PGRARNR3C1LMNANR3C2
SCHEMBL14450051 0.78 NR3C1 (0.69) PGRARNR3C1LMNANR3C2

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
WO-2006052263-A1 SYNTHESIS AND SEPARATION OF OPTICALLY ACTIVE ISOMERS AND CYCLOPROPYL DERIVATIVES OF SPIRONOLACTONE AND THEIR BIOLOGICAL ACTION RANADE VASANT V (US) 2006-05-18 — — WO disclosed