SCHEMBL8427024

SCHEMBL8427024

C=C1CCO[C@@]12CC[C@H]1[C@@H]3C[C@H](C)C4=CC(=O)CC[C@@H]4[C@H]3[C@@H](c3ccc(OC)cc3)C[C@@]12C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 14/20 0.60
▸ NR3C1 P04150 18/20 0.53
▸ AR P10275 8/20 0.40
▸ CYP3A4 P08684 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ ABCC4 O15439 1/20 0.37
▸ ABCB11 O95342 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ SHBG P04278 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ NR3C2 P08235 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ HRH2 P25021 1/20 0.37
▸ AKR1C3 P42330 1/20 0.37
▸ AKR1C2 P52895 1/20 0.37
▸ AKR1C1 Q04828 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ USP2 O75604 1/20 0.37

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
SCHEMBL8425113 0.86 PGR (0.51) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8427242 0.85 PGR (0.81) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8423485 0.80 PGR (0.73) PGRNR3C1ARCYP3A4ABCB11
SCHEMBL8425073 0.80 PGR (0.49) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8424820 0.79 PGR (0.55) PGRNR3C1ARNR3C2
SCHEMBL8427264 0.78 PGR (0.49) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8427053 0.77 PGR (0.81) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8424832 0.75 PGR (0.79) PGRNR3C1ARCYP3A4LMNA
SCHEMBL8423175 0.75 PGR (1.00) PGRNR3C1ARCYP3A4
SCHEMBL8426848 0.75 PGR (0.65) PGRNR3C1ARCYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0582338-B1 17-Spiromethylene steroids AKZO NOBEL NV (NL) 1999-10-20 — — EP disclosed
US-5854235-A 17-spiromethylene steroids AKZO NOBEL N.V. (NL) 1998-12-29 — — US disclosed
US-5712264-A 17-spiromethylene steroids AKZO NOBEL N.V. (NL) 1998-01-27 — — US disclosed
EP-0582338-A2 17-Spiromethylene steroids Akzo Nobel N.V. (NL) 1994-02-09 — — EP disclosed
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