SCHEMBL8019178

SCHEMBL8019178

COc1ccccc1C1CC[C@H]2[C@@H]3CCC4CC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 8/20 0.45
SRD5A2 P31213 5/20 0.37
AR P10275 1/20 0.37
AKR1C3 P42330 1/20 0.36

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
SCHEMBL8019181 0.81 SRD5A1 (0.52) SRD5A1SRD5A2
SCHEMBL11329429 0.80 AR (0.42) SRD5A1SRD5A2AR
SCHEMBL11329447 0.80 AR (0.42) SRD5A1SRD5A2AR
SCHEMBL27369411 0.77 AR (0.42) SRD5A1SRD5A2AR
SCHEMBL23378235 0.77 AR (0.44) SRD5A1SRD5A2AR
SCHEMBL7515861 0.76 MEN1 (0.40) SRD5A1AR
SCHEMBL7515870 0.76 MEN1 (0.40) SRD5A1AR
SCHEMBL21807712 0.76 AR (0.45) SRD5A2AR
SCHEMBL8898529 0.76 AR (0.45) SRD5A2AR
SCHEMBL7193192 0.75 AR (0.61) AR

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