SCHEMBL8073550

SCHEMBL8073550

CN1C(=O)CC[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)C(COCc3ccccc3F)CC[C@@H]12

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 6/20 0.51
SRD5A2 P31213 4/20 0.50

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
SCHEMBL8073548 1.00 SRD5A1 (0.51) SRD5A1SRD5A2
SCHEMBL8065283 0.82 SRD5A1 (0.54) SRD5A1SRD5A2
SCHEMBL8065279 0.82 SRD5A1 (0.54) SRD5A1SRD5A2
SCHEMBL8076024 0.82 SRD5A1 (0.55) SRD5A1SRD5A2
SCHEMBL8076028 0.82 SRD5A1 (0.55) SRD5A1SRD5A2
SCHEMBL8075594 0.81 SRD5A1 (0.54) SRD5A1SRD5A2
SCHEMBL8075598 0.81 SRD5A1 (0.54) SRD5A1SRD5A2
SCHEMBL8078483 0.81 SRD5A1 (0.50) SRD5A1SRD5A2
SCHEMBL8078480 0.81 SRD5A1 (0.50) SRD5A1SRD5A2
SCHEMBL8075596 0.80 SRD5A1 (0.52) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998009632-A1 METHODS AND COMPOSITIONS FOR TREATING PRETERM LABOR MERCK & CO., INC. (US) 1998-03-12 WO 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
WO-1993023040-A1 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS MERCK & CO., INC. (US) 1993-11-25 WO disclosed