SCHEMBL8073690

SCHEMBL8073690

CCCOC1CC[C@H]2[C@@H]3CCC4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 7/20 0.63
HSD17B7 P56937 1/20 0.59
SRD5A2 P31213 2/20 0.59

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
SCHEMBL8073688 1.00 SRD5A1 (0.63) SRD5A1HSD17B7SRD5A2
SCHEMBL8078906 0.92 HSD17B7 (0.66) SRD5A1HSD17B7SRD5A2
SCHEMBL8065480 0.92 HSD17B7 (0.66) SRD5A1HSD17B7SRD5A2
SCHEMBL8080711 0.92 HSD17B7 (0.66) SRD5A1HSD17B7SRD5A2
SCHEMBL8078905 0.92 HSD17B7 (0.66) SRD5A1HSD17B7SRD5A2
SCHEMBL8065477 0.92 HSD17B7 (0.66) SRD5A1HSD17B7SRD5A2
SCHEMBL8075906 0.86 SRD5A1 (0.69) SRD5A1HSD17B7SRD5A2
SCHEMBL8075908 0.86 SRD5A1 (0.69) SRD5A1HSD17B7SRD5A2
SCHEMBL8073316 0.86 SRD5A1 (0.60) SRD5A1SRD5A2
SCHEMBL8075156 0.85 SRD5A1 (0.59) 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 15 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-A4 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS. MERCK & CO INC (US) 1995-08-23 EP claimed
EP-0641204-A1 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS MERCK & CO. INC. (US) 1995-03-08 EP claimed
WO-1993023040-A1 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS MERCK & CO., INC. (US) 1993-11-25 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-1993023039-A1 SUBSTITUTED 4-AZA-5A-ANDROSTAN-ONES AS 5A-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO disclosed
WO-1993023040-A1 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS MERCK & CO., INC. (US) 1993-11-25 WO disclosed