SCHEMBL8073316

SCHEMBL8073316

CN1C(=O)CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4OCC(=O)O)C3CC[C@@H]12

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.60
SRD5A2 P31213 1/20 0.60

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
SCHEMBL8925564 0.95 SRD5A1 (0.56) SRD5A1SRD5A2
SCHEMBL8075156 0.90 SRD5A1 (0.59) SRD5A1SRD5A2
SCHEMBL8073218 0.88 SRD5A1 (0.59) SRD5A1SRD5A2
SCHEMBL8823399 0.87 SRD5A1 (0.60) SRD5A1SRD5A2
SCHEMBL8073690 0.86 SRD5A1 (0.63) SRD5A1SRD5A2
SCHEMBL8073688 0.86 SRD5A1 (0.63) SRD5A1SRD5A2
SCHEMBL7612140 0.84 SRD5A1 (0.60) SRD5A1SRD5A2
SCHEMBL7612135 0.84 SRD5A1 (0.60) SRD5A1SRD5A2
SCHEMBL8073856 0.84 SRD5A1 (0.57) SRD5A1SRD5A2
SCHEMBL8073858 0.84 SRD5A1 (0.57) SRD5A1SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641204-B1 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS MERCK & CO INC (US) 2000-08-16 EP claimed
WO-1998009632-A1 METHODS AND COMPOSITIONS FOR TREATING PRETERM LABOR MERCK & CO., INC. (US) 1998-03-12 WO claimed
US-5536727-A TREATMENT OF HYPERANDROGENIC DISEASES MERCK & CO., INC. (US) 1996-07-16 US claimed
EP-0641204-B1 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS MERCK & CO INC (US) 2000-08-16 EP disclosed
US-5872126-A ENZYME INHIBITORS FOR TREATMENT OF PREMATURE LABOR MERCK & CO., INC. (US) 1999-02-16 US disclosed
WO-1998009632-A1 METHODS AND COMPOSITIONS FOR TREATING PRETERM LABOR MERCK & CO., INC. (US) 1998-03-12 WO disclosed
US-5693809-A PREGNANES FOR TREATING ALOPECIA, ACNE AND SKIN DISORDER MERCK & CO., INC. (US) 1997-12-02 US disclosed
US-5536727-A TREATMENT OF HYPERANDROGENIC DISEASES MERCK & CO., INC. (US) 1996-07-16 US disclosed
EP-0641204-A4 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS. MERCK & CO INC (US) 1995-08-23 EP disclosed
EP-0641204-A1 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS MERCK & CO. INC. (US) 1995-03-08 EP disclosed