SCHEMBL8679097

SCHEMBL8679097

CCC(C)(C)OC1CC2N(OC(C)(C)CC)C(=O)CC[C@]2(C)[C@@H]2CC[C@]3(C)CCC[C@H]3[C@H]12

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 5/20 0.32
SRD5A2 P31213 5/20 0.32

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
SCHEMBL8682901 0.78 SRD5A1 (0.35) SRD5A1SRD5A2
SCHEMBL8679334 0.77 SRD5A1 (0.33) SRD5A1SRD5A2
SCHEMBL8679325 0.75 SRD5A1 (0.34) SRD5A1SRD5A2
SCHEMBL8679332 0.73 SRD5A1 (0.35) SRD5A1SRD5A2
SCHEMBL8606544 0.72 SRD5A1 (0.35) SRD5A1SRD5A2
SCHEMBL9110002 0.69 HSD17B7 (0.44) SRD5A1SRD5A2
SCHEMBL8585433 0.68 SRD5A1 (0.51) SRD5A1SRD5A2
SCHEMBL9005680 0.67 SRD5A1 (0.56) SRD5A1SRD5A2
SCHEMBL9005677 0.67 SRD5A1 (0.56) SRD5A1SRD5A2
SCHEMBL8682897 0.67 SRD5A1 (0.42) 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 2 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
WO-1998009632-A1 METHODS AND COMPOSITIONS FOR TREATING PRETERM LABOR MERCK & CO., INC. (US) 1998-03-12 WO disclosed