SCHEMBL8425100

SCHEMBL8425100

C=C1CCO[C@@]12CCC1C3CC=C4CC5(CC[C@@H]4C3[C@@H](c3ccc(OS(=O)(=O)C(F)(F)F)cc3)C[C@@]12C)OCCO5

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 10/20 0.47
▸ NR3C1 P04150 10/20 0.36
▸ AR P10275 5/20 0.31
▸ AKR1C3 P42330 1/20 0.31
▸ CYP3A4 P08684 1/20 0.30

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
SCHEMBL8407074 0.89 PGR (0.33) PGRNR3C1ARAKR1C3
SCHEMBL9174030 0.83 MAPT (0.42) AKR1C3CYP3A4
SCHEMBL5891654 0.81 AKR1C3 (0.34) PGRNR3C1ARAKR1C3CYP3A4
SCHEMBL7868038 0.81 AKR1C3 (0.34) PGRNR3C1ARAKR1C3CYP3A4
SCHEMBL6864127 0.81 AKR1C3 (0.33) PGRAKR1C3
SCHEMBL8427011 0.80 PGR (0.47) PGRNR3C1AR
SCHEMBL5891671 0.80 AKR1C3 (0.33) PGRNR3C1ARAKR1C3
SCHEMBL5891664 0.76 AKR1C3 (0.46) AKR1C3CYP3A4
SCHEMBL8407252 0.76 PGR (0.37) PGRNR3C1AR
SCHEMBL8768906 0.76 — —

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-0582338-B1 17-Spiromethylene steroids AKZO NOBEL NV (NL) 1999-10-20 — — EP disclosed
EP-0582338-A2 17-Spiromethylene steroids Akzo Nobel N.V. (NL) 1994-02-09 — — EP disclosed
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