SCHEMBL11809654

SCHEMBL11809654

C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@]21CCC1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 7/20 0.64
▸ AR P10275 6/20 0.64
▸ NR3C2 P08235 3/20 0.64
▸ CYP19A1 P11511 3/20 0.40
▸ NR3C1 P04150 3/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ CYP3A4 P08684 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CHRM2 P08172 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ABCB11 O95342 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ SHBG P04278 1/20 0.38

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
SCHEMBL4210007 0.81 PGR (0.63) PGRARNR3C2CYP19A1NR3C1
Gestadienol SCHEMBL931512 0.80 AR (0.65) PGRARNR3C2NR3C1PDE4D
SCHEMBL13809834 0.80 AR (0.58) PGRARNR3C2CYP19A1
SCHEMBL1656805 0.80 AR (0.58) PGRARNR3C2CYP19A1
SCHEMBL12949430 0.79 PGR (0.67) PGRARNR3C2NR3C1CYP3A4
SCHEMBL2833264 0.79 PGR (0.62) PGRARNR3C2NR3C1CYP3A4
SCHEMBL12949722 0.79 PGR (0.67) PGRARNR3C2NR3C1CYP3A4
SCHEMBL13013797 0.78 AR (1.00) PGRARNR3C2
SCHEMBL12924023 0.78 AR (1.00) PGRARNR3C2
SCHEMBL13013564 0.78 AR (1.00) PGRARNR3C2

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-3968132-A (17R)-Spiro-[androstane-17,1'-cyclobutan]-2'-ones, methods for their manufacture and intermediates useful therein SCHERING CORPORATION (US) 1976-07-06 — — US disclosed
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