SCHEMBL8680322

SCHEMBL8680322

CC1C=C2N(C)C(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](C(C)C)CC[C@H]3[C@H]12

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 11/20 0.75
SRD5A1 P18405 11/20 0.75

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
SCHEMBL8333868 0.86 SRD5A2 (1.00) SRD5A2SRD5A1
SCHEMBL917612 0.86 SRD5A2 (1.00) SRD5A2SRD5A1
SCHEMBL8986784 0.84 SRD5A2 (0.66) SRD5A2SRD5A1
SCHEMBL7905737 0.84 SRD5A2 (0.66) SRD5A2SRD5A1
SCHEMBL7905736 0.84 SRD5A2 (0.66) SRD5A2SRD5A1
SCHEMBL8590259 0.84 SRD5A2 (0.68) SRD5A2SRD5A1
SCHEMBL8676407 0.82 SRD5A2 (0.73) SRD5A2SRD5A1
SCHEMBL8680318 0.81 SRD5A1 (0.61) SRD5A2SRD5A1
SCHEMBL7377275 0.80 SRD5A2 (0.74) SRD5A2SRD5A1
SCHEMBL7384872 0.79 SRD5A1 (0.62) SRD5A2SRD5A1

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