SCHEMBL5334484

SCHEMBL5334484

CCCCC1(C(=O)O[C@H]2CC=C3[C@H]4[C@H]([C@@H](C)C[C@@]32C)[C@H]2CCC(=O)C=C2C[C@H]4C)CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 2/20 0.45
▸ SHBG P04278 1/20 0.45
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PGR P06401 1/20 0.34

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
SCHEMBL5325123 0.83 AR (0.64) ARSHBGLMNAMAPTPGR
SCHEMBL5327817 0.82 AR (0.45) ARSHBGLMNAMAPTPGR
SCHEMBL14569123 0.82 AR (0.45) ARSHBGLMNAMAPTPGR
SCHEMBL3453517 0.82 AR (0.50) ARSHBGLMNAMAPTPGR
SCHEMBL3453564 0.81 SHBG (0.52) ARSHBGPGR
SCHEMBL13125419 0.81 SHBG (0.52) ARSHBGPGR
SCHEMBL3452256 0.76 SHBG (0.46) ARSHBGPGR
SCHEMBL5329105 0.73 SHBG (0.71) ARSHBGPGR
SCHEMBL6011908 0.73 SHBG (0.71) ARSHBGPGR
SCHEMBL13125422 0.73 SHBG (0.71) ARSHBGPGR

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
US-7196074-B2 Methods of making, using and pharmaceutical formulations comprising 7α, 11β-dimethyl-17β-hydroxyestra-4, 14-dien-3-one and 17 esters thereof THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2007-03-27 — — US 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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