SCHEMBL8522969

SCHEMBL8522969

CCS(=O)(=O)C1C(C)[C@@H]2[C@@H](CC[C@]3(C)CCC[C@@H]23)[C@@]2(C)CCC(=O)N(C)C12

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 10/20 0.34
SRD5A2 P31213 5/20 0.34
HSD17B7 P56937 1/20 0.33

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
SCHEMBL8996698 1.00 SRD5A1 (0.34) SRD5A1SRD5A2HSD17B7
SCHEMBL8523505 0.89 SRD5A1 (0.33) SRD5A1SRD5A2
SCHEMBL8996714 0.84 SRD5A1 (0.34) SRD5A1SRD5A2
SCHEMBL8996729 0.84 SRD5A1 (0.34) SRD5A1SRD5A2
SCHEMBL8996721 0.84 SRD5A1 (0.34) SRD5A1SRD5A2
SCHEMBL8523561 0.83 MAPT (0.40) SRD5A1SRD5A2
SCHEMBL8996745 0.82 SRD5A1 (0.34) SRD5A1SRD5A2HSD17B7
SCHEMBL8996742 0.82 SRD5A1 (0.34) SRD5A1SRD5A2HSD17B7
SCHEMBL8996737 0.82 SRD5A1 (0.38) SRD5A1SRD5A2HSD17B7
SCHEMBL8996741 0.82 SRD5A1 (0.38) SRD5A1SRD5A2HSD17B7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0786999-A4 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO INC (US) 1999-01-20 EP claimed
EP-0792371-A4 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO INC (US) 1998-12-30 EP claimed
WO-1998009632-A1 METHODS AND COMPOSITIONS FOR TREATING PRETERM LABOR MERCK & CO., INC. (US) 1998-03-12 WO claimed
EP-0792371-A1 COMBINATION METHOD FOR ACNE TREATMENT Merck & Co., Inc. (US) 1997-09-03 EP claimed
EP-0786999-A1 COMBINATION METHOD FOR ACNE TREATMENT Merck & Co., Inc. (US) 1997-08-06 EP claimed
WO-1996012487-A1 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO., INC. (US) 1996-05-02 WO claimed
WO-1996012817-A1 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO., INC. (US) 1996-05-02 WO claimed
EP-0786999-A4 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO INC (US) 1999-01-20 EP disclosed
EP-0786999-A1 COMBINATION METHOD FOR ACNE TREATMENT Merck & Co., Inc. (US) 1997-08-06 EP disclosed
EP-0724592-A1 16-SUBSTITUTED-4-AZA-ANDROSTANE 5-ALPHA-REDUCTASE ISOZYME 1 INHIBITORS MERCK & CO. INC. (US) 1996-08-07 EP disclosed
WO-1996012487-A1 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO., INC. (US) 1996-05-02 WO disclosed
WO-1995011254-A1 16-SUBSTITUTED-4-AZA-ANDROSTANE 5-ALPHA-REDUCTASE ISOZYME 1 INHIBITORS MERCK & CO., INC. (US) 1995-04-27 WO disclosed