SCHEMBL8007071

SCHEMBL8007071

CCC1CC2N(C)C(=O)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@@H](CCC3(C(=O)O)c3ccc(OC)cc3)[C@H]12

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 13/20 0.47
SRD5A2 P31213 8/20 0.47

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
SCHEMBL8006568 0.83 SRD5A1 (0.58) SRD5A1SRD5A2
SCHEMBL8007068 0.80 SRD5A1 (0.52) SRD5A1SRD5A2
SCHEMBL8006790 0.79 SRD5A1 (0.44) SRD5A1SRD5A2
SCHEMBL8016265 0.77 SRD5A1 (0.44) SRD5A1SRD5A2
SCHEMBL8021030 0.76 SRD5A1 (0.43) SRD5A1SRD5A2
SCHEMBL8017183 0.75 SRD5A1 (0.43) SRD5A1SRD5A2
SCHEMBL8017027 0.74 SRD5A1 (0.43) SRD5A1SRD5A2
SCHEMBL8006792 0.73 SRD5A1 (0.55) SRD5A1SRD5A2
SCHEMBL8016817 0.72 SRD5A2 (0.43) SRD5A1SRD5A2
SCHEMBL5070240 0.72 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 2 patents. 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 disclosed
US-5278159-A Steroid enzyme inhibitor MERCK & CO., INC. (US) 1994-01-11 US disclosed