SCHEMBL8016930

SCHEMBL8016930

C[C@]12C=CC(=O)NC1CC[C@@H]1[C@H]2CC[C@]2(C)C(c3ccccc3F)CC[C@@H]12

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 15/20 0.65
SRD5A2 P31213 9/20 0.58

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
SCHEMBL8157686 0.86 SRD5A1 (0.66) SRD5A1SRD5A2
SCHEMBL8157697 0.86 SRD5A1 (0.66) SRD5A1SRD5A2
SCHEMBL8020976 0.86 SRD5A1 (0.58) SRD5A1SRD5A2
SCHEMBL8158493 0.83 SRD5A1 (0.62) SRD5A1SRD5A2
SCHEMBL8016786 0.81 SRD5A1 (0.64) SRD5A1SRD5A2
SCHEMBL8019119 0.81 SRD5A2 (0.56) SRD5A1SRD5A2
SCHEMBL8155923 0.80 SRD5A1 (0.66) SRD5A1SRD5A2
SCHEMBL8155921 0.80 SRD5A1 (0.66) SRD5A1SRD5A2
SCHEMBL8164893 0.80 SRD5A1 (0.67) SRD5A1SRD5A2
SCHEMBL8164889 0.80 SRD5A1 (0.67) 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
EP-0664812-B1 17-BETA-ARYL ESTER CARBOXYLATES OF 4-AZA-5-ALPHA-ANDROSTANE-3-ONES MERCK & CO INC (US) 2000-01-05 EP claimed