SCHEMBL6011910

SCHEMBL6011910

C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@@H]2[C@@H]1C1=CC[C@@](O)(CCCCCCCCCCC(=O)O)[C@@]1(C)C[C@@H]2C

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 3/20 0.43
▸ SHBG P04278 1/20 0.39
▸ PGR P06401 1/20 0.33
▸ PTGS1 P23219 2/20 0.33
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL6011905 0.70 PTGS1 (0.36) ARSHBGPTGS1LMNAMAPT
SCHEMBL6011908 0.68 SHBG (0.71) ARSHBGPGR
SCHEMBL3452000 0.67 SHBG (0.49) ARSHBGPGR
SCHEMBL3875240 0.67 SHBG (0.65) ARSHBGPGRLMNA
SCHEMBL3875239 0.67 SHBG (0.65) ARSHBGPGRLMNA
SCHEMBL3453517 0.64 AR (0.50) ARSHBGPGRLMNAMAPT
SCHEMBL24102415 0.64 AR (0.82) ARPGRLMNAMAPT
SCHEMBL5334484 0.63 AR (0.45) ARSHBGPGRLMNAMAPT
SCHEMBL24102572 0.62 AR (0.79) ARPGRLMNAMAPT
SCHEMBL24102820 0.60 AR (0.65) ARSHBGPGRPTGS1LMNA

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
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 claimed
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