SCHEMBL6012018

SCHEMBL6012018

C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@@H]2[C@@H]1[C@@H]1CC[C@@](O)(CCCCCCCCCCC(=O)O)[C@@]1(C)C[C@@H]2C

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 13/20 0.52
▸ PGR P06401 8/20 0.43
▸ NR3C2 P08235 3/20 0.41
▸ SHBG P04278 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ NR3C1 P04150 2/20 0.36

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
SCHEMBL11793678 0.80 PGR (0.61) ARPGRSHBGMEN1KMT2A
SCHEMBL6011910 0.77 AR (0.43) ARPGRSHBG
SCHEMBL9340441 0.73 AR (0.59) ARPGRNR3C2SHBGNR3C1
SCHEMBL24102415 0.73 AR (0.82) ARPGRNR3C2MEN1KMT2A
SCHEMBL7859913 0.71 PGR (0.56) ARPGRSHBGMEN1KMT2A
SCHEMBL6017673 0.71 SHBG (0.52) ARPGRNR3C2SHBGNR3C1
SCHEMBL25863642 0.71 AR (0.93) ARPGRNR3C2SHBGMEN1
SCHEMBL25863523 0.71 AR (0.93) ARPGRNR3C2SHBGMEN1
SCHEMBL25863521 0.71 AR (0.93) ARPGRNR3C2SHBGMEN1
SCHEMBL24102572 0.70 AR (0.79) ARPGRNR3C2MEN1KMT2A

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-1272196-B1 METHODS OF MAKING THE 4-N-BUTYLCYCLOHEXANOIC AND THE UNDECANOIC ACID ESTERS OF (7 ALPHA,11 BETA)-DIMETHYL-17 BETA-HYDROXY-4-ESTREN-3-ONE AND THEIR MEDICAL USE US GOV HEALTH & HUMAN SERV (US) 2006-08-02 — — EP claimed
EP-1379253-B1 METHODS OF MAKING AND PHARMACEUTICAL FORMULATIONS COMPRISING 7ALPHA,11BETA-DIMETHYL-17BETA-HYDROXYESTRA-4, 14-DIEN-3-ONE AND 17 ESTERS THEREOF US GOV HEALTH & HUMAN SERV (US) 2006-03-29 — — EP disclosed
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