SCHEMBL8080129

SCHEMBL8080129

CCC(O[C@H]1CCC2C3CC[C@H]4NC(=O)CC[C@]4(C)C3CC[C@@]21C)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 4/20 0.56
SRD5A1 P18405 3/20 0.52
AR P10275 1/20 0.52

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
SCHEMBL9003286 0.82 SRD5A2 (0.58) SRD5A2SRD5A1AR
SCHEMBL8075575 0.82 SRD5A2 (0.58) SRD5A2SRD5A1AR
SCHEMBL8075573 0.82 SRD5A2 (0.58) SRD5A2SRD5A1AR
SCHEMBL8075013 0.82 SRD5A2 (0.58) SRD5A2SRD5A1AR
SCHEMBL4379567 0.82 SRD5A2 (0.60) SRD5A2SRD5A1AR
SCHEMBL8065560 0.80 SRD5A2 (0.57) SRD5A2SRD5A1AR
SCHEMBL8065564 0.80 SRD5A2 (0.57) SRD5A2SRD5A1AR
SCHEMBL7611447 0.80 SRD5A2 (0.60) SRD5A2SRD5A1AR
SCHEMBL7611457 0.80 SRD5A2 (0.60) SRD5A2SRD5A1AR
SCHEMBL8823366 0.79 SRD5A2 (0.59) SRD5A2SRD5A1AR

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-0641204-B1 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS MERCK & CO INC (US) 2000-08-16 EP claimed