SCHEMBL8726908

SCHEMBL8726908

CC1C(=O)CC[C@]2(C)[C@@H]3CC[C@]4(C)C(NC(=O)Nc5ccccc5)CC[C@H]4[C@@H]3CCN12

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 9/20 0.43
SRD5A2 P31213 7/20 0.43
AR P10275 1/20 0.43
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CHRNA7 P36544 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL8726903 1.00 SRD5A1 (0.43) SRD5A1SRD5A2ARTSHRALDH1A1
SCHEMBL8726847 0.86 G6PD (0.42) SRD5A2
SCHEMBL8726845 0.86 G6PD (0.42) SRD5A2
SCHEMBL9113667 0.85 SRD5A1 (0.42) SRD5A1SRD5A2ARTSHRALDH1A1
SCHEMBL8726885 0.77 SRD5A2 (0.36) SRD5A1SRD5A2
SCHEMBL8724695 0.77 SRD5A1 (0.42) SRD5A1SRD5A2ARTSHRALDH1A1
SCHEMBL8926809 0.76 SRD5A1 (0.37) SRD5A1SRD5A2ARALDH1A1
SCHEMBL8926954 0.76 SRD5A1 (0.36) SRD5A1SRD5A2ARALDH1A1
SCHEMBL8075347 0.75 SHBG (0.51) SRD5A2ARTSHR
SCHEMBL8075351 0.75 SHBG (0.51) SRD5A2ARTSHR

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
US-5710275-A ENZYME AND HORMONE INHIBITORS MERCK & CO., INC. (US) 1998-01-20 US disclosed