SCHEMBL14668726

SCHEMBL14668726

C[C@@H]1CC2C(CC[C@@]3(C)C2[C@@H]2C[C@@H]2[C@@]32CCC(=O)O2)[C@@]2(C)CCC(=O)C=C12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 10/20 0.72
▸ AR P10275 10/20 0.72
▸ LMNA P02545 4/20 0.72
▸ NR3C1 P04150 4/20 0.72
▸ ABCC4 O15439 2/20 0.72
▸ ABCB11 O95342 2/20 0.72
▸ CHRM2 P08172 2/20 0.72
▸ HTR2A P28223 1/20 0.72
▸ HTR2B P41595 1/20 0.72
▸ CYP19A1 P11511 5/20 0.57
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ MAPT P10636 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ HIF1A Q16665 1/20 0.55
▸ SHBG P04278 2/20 0.53
▸ CYP3A4 P08684 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ ESR1 P03372 1/20 0.52
▸ NR3C2 P08235 1/20 0.52

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
SCHEMBL13103488 1.00 PGR (0.72) PGRARLMNANR3C1ABCC4
SCHEMBL13146712 0.90 PGR (0.61) PGRARLMNANR3C1ABCC4
SCHEMBL14668731 0.86 PGR (0.79) PGRARLMNANR3C1ABCC4
SCHEMBL14256379 0.86 PGR (0.79) PGRARLMNANR3C1ABCC4
SCHEMBL16329005 0.86 PGR (0.79) PGRARLMNANR3C1ABCC4
SCHEMBL8025172 0.86 PGR (0.79) PGRARLMNANR3C1ABCC4
SCHEMBL18220876 0.86 PGR (0.79) PGRARLMNANR3C1ABCC4
SCHEMBL13103061 0.85 CYP19A1 (0.60) PGRARLMNANR3C1ABCC4
SCHEMBL14256416 0.84 PGR (0.64) PGRARLMNANR3C1ABCC4
SCHEMBL14256378 0.84 PGR (0.64) PGRARLMNANR3C1ABCC4

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
EP-2266998-B1 Process for obtaining 17-spirolactones in steroids CRYSTAL PHARMA SAU (ES) 2013-07-24 — — EP disclosed
US-8383809-B2 Process for the preparation of drospirenone NEWCHEM S.P.A. (IT) 2013-02-26 — — US disclosed
EP-2551275-A1 Process for the preparation of drospirenone INDUSTRIALE CHIMICA S.r.l. (IT) 2013-01-30 — — EP disclosed
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