SCHEMBL6429982

SCHEMBL6429982

COc1cc(C#N)cc(-c2ccc3c(c2)C(C)(C)NC(=S)O3)c1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PGR P06401 12/20 0.62
BACE1 P56817 5/20 0.39
BACE2 Q9Y5Z0 2/20 0.39
GRM5 P41594 1/20 0.38
APP P05067 3/20 0.37

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
SCHEMBL3882998 0.76 PGR (1.00) PGR
SCHEMBL79962 0.73 PGR (0.60) PGR
SCHEMBL3880052 0.70 PGR (0.76) PGR
SCHEMBL80304 0.65 AHR (0.42) PGRBACE1
SCHEMBL12077088 0.65 CYP1A1 (0.55) PGRGRM5
SCHEMBL3879414 0.64 PGR (1.00) PGR
SCHEMBL202404 0.63 ALDH1A1 (0.61) PGRGRM5
SCHEMBL16894215 0.62 KIF11 (0.57) PGRGRM5
SCHEMBL25014569 0.62 CYP1A1 (0.65) PGR
SCHEMBL509576 0.62 ALDH1A1 (0.58) PGRGRM5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1515725-A4 USE OF CYCLOTHIOCARBAMATE DERIVATIVES IN TREATMENT OF HORMONE-RELATED CONDITIONS WYETH CORP (US) 2005-09-21 EP disclosed
EP-1515725-A2 USE OF CYCLOTHIOCARBAMATE DERIVATIVES IN TREATMENT OF HORMONE-RELATED CONDITIONS Wyeth (US) 2005-03-23 EP disclosed
WO-2004000801-A2 USE OF CYCLOTHIOCARBAMATE DERIVATIVES IN TREATMENT OF HORMONE-RELATED CONDITIONS WYETH (US) 2003-12-31 WO disclosed