SCHEMBL8587739

SCHEMBL8587739

CC1CC2N(C)C(=O)C=C[C@]2(C)[C@@H]2CC[C@]3(C)C(C(C)(C)C)CC[C@H]3[C@H]12

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 3/20 0.65
SRD5A2 P31213 3/20 0.65
AR P10275 7/20 0.53
KCNH2 Q12809 6/20 0.53

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
SCHEMBL7417373 1.00 SRD5A1 (0.65) SRD5A1SRD5A2ARKCNH2
SCHEMBL8852024 0.92 SRD5A2 (0.60) SRD5A1SRD5A2ARKCNH2
SCHEMBL8852026 0.92 SRD5A2 (0.60) SRD5A1SRD5A2ARKCNH2
SCHEMBL8851728 0.90 SRD5A1 (0.59) SRD5A1SRD5A2ARKCNH2
SCHEMBL8851732 0.90 SRD5A1 (0.59) SRD5A1SRD5A2ARKCNH2
SCHEMBL8336717 0.85 SRD5A1 (0.65) SRD5A1SRD5A2ARKCNH2
SCHEMBL8336709 0.85 SRD5A1 (0.65) SRD5A1SRD5A2ARKCNH2
SCHEMBL7384579 0.83 SRD5A1 (0.62) SRD5A1SRD5A2ARKCNH2
SCHEMBL7776568 0.83 SRD5A1 (0.62) SRD5A1SRD5A2ARKCNH2
SCHEMBL7778952 0.83 SRD5A2 (0.76) SRD5A1SRD5A2ARKCNH2

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
WO-1998041211-A1 METHODS AND COMPOSITIONS FOR TREATING POLYCYSTIC OVARY SYNDROME MERCK & CO., INC. (US) 1998-09-24 WO claimed
WO-1998041211-A1 METHODS AND COMPOSITIONS FOR TREATING POLYCYSTIC OVARY SYNDROME MERCK & CO., INC. (US) 1998-09-24 WO disclosed