SCHEMBL8606544

SCHEMBL8606544

CCC(C)CCOC1CC2N(OCCC(C)CC)C(=O)CC[C@]2(C)[C@@H]2CC[C@]3(C)CCC[C@H]3[C@H]12

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 12/20 0.35
SRD5A2 P31213 11/20 0.35

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
SCHEMBL8679334 0.87 SRD5A1 (0.33) SRD5A1SRD5A2
SCHEMBL8679325 0.85 SRD5A1 (0.34) SRD5A1SRD5A2
SCHEMBL8682901 0.83 SRD5A1 (0.35) SRD5A1SRD5A2
SCHEMBL8679332 0.74 SRD5A1 (0.35) SRD5A1SRD5A2
SCHEMBL9110002 0.74 HSD17B7 (0.44) SRD5A1SRD5A2
SCHEMBL8679097 0.72 SRD5A1 (0.32) SRD5A1SRD5A2
SCHEMBL8583935 0.70 SRD5A1 (0.34) SRD5A1SRD5A2
SCHEMBL8996738 0.69 SRD5A1 (0.46) SRD5A1SRD5A2
SCHEMBL8682897 0.69 SRD5A1 (0.42) SRD5A1SRD5A2
SCHEMBL8579148 0.66 SRD5A1 (0.41) 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 8 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-0724592-A1 16-SUBSTITUTED-4-AZA-ANDROSTANE 5-ALPHA-REDUCTASE ISOZYME 1 INHIBITORS MERCK & CO. INC. (US) 1996-08-07 EP claimed
WO-1995011254-A1 16-SUBSTITUTED-4-AZA-ANDROSTANE 5-ALPHA-REDUCTASE ISOZYME 1 INHIBITORS MERCK & CO., INC. (US) 1995-04-27 WO claimed
EP-0792371-A4 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO INC (US) 1998-12-30 EP disclosed
EP-0792371-A1 COMBINATION METHOD FOR ACNE TREATMENT Merck & Co., Inc. (US) 1997-09-03 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-1996012817-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