SCHEMBL8682913

SCHEMBL8682913

CN1C(=O)CC[C@@]2(C)C1CC(COCCOc1ccccc1)[C@@H]1[C@H]2CC[C@]2(C)CCC[C@@H]12

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 10/20 0.43
SRD5A2 P31213 7/20 0.43
PLA2G7 Q13093 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL8076027 0.78 SRD5A1 (0.42) SRD5A1SRD5A2
SCHEMBL8721504 0.78 SRD5A1 (0.42) SRD5A1SRD5A2
SCHEMBL8679739 0.78 SRD5A1 (0.39) SRD5A1SRD5A2
SCHEMBL9114865 0.75 SRD5A1 (0.43) SRD5A1SRD5A2
SCHEMBL8065283 0.74 SRD5A1 (0.54) SRD5A1SRD5A2
SCHEMBL9005677 0.73 SRD5A1 (0.56) SRD5A1SRD5A2
SCHEMBL9005680 0.73 SRD5A1 (0.56) SRD5A1SRD5A2
SCHEMBL5069375 0.72 SRD5A1 (0.43) SRD5A1SRD5A2
SCHEMBL5069369 0.72 SRD5A1 (0.43) SRD5A1SRD5A2
SCHEMBL8524175 0.70 SRD5A1 (0.36) 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 1 patent. 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