SCHEMBL7711734

SCHEMBL7711734

CCC1CC(OC2CC2)[C@@]2(C)CC[C@@H]3[C@@H](CCC4NC(=O)CC[C@@]43C)[C@H]12

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 4/20 0.48
SRD5A2 P31213 5/20 0.46
AR P10275 1/20 0.41

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
SCHEMBL7615806 1.00 SRD5A1 (0.48) SRD5A1SRD5A2AR
SCHEMBL8646743 0.87 SRD5A1 (0.48) SRD5A1SRD5A2AR
SCHEMBL8650921 0.87 SRD5A1 (0.48) SRD5A1SRD5A2AR
SCHEMBL8648194 0.83 SRD5A1 (0.52) SRD5A1SRD5A2AR
SCHEMBL8648191 0.83 SRD5A1 (0.52) SRD5A1SRD5A2AR
SCHEMBL7611331 0.80 SRD5A1 (0.58) SRD5A1SRD5A2AR
SCHEMBL7611329 0.80 SRD5A1 (0.58) SRD5A1SRD5A2AR
SCHEMBL7616822 0.77 SRD5A2 (0.60) SRD5A1SRD5A2
SCHEMBL7715589 0.77 SRD5A2 (0.60) SRD5A1SRD5A2
SCHEMBL7616816 0.77 SRD5A2 (0.60) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6365597-B1 FOR THERAPY OF ANDROGEN AND ESTROGEN MEDIATED DISORDERS, INCLUDING BENIGN PROSTATIC HYPERPLASIA, ANDROGEN MEDIATED PROSTATE CANCER, ESTROGEN MEDIATED BREAST CANCER AND ACNE AVENTIS PHARMACEUTICALS INC. 2002-04-02 US disclosed
EP-0880540-A1 17-BETA-CYCLOPROPYL(AMINO/OXY) 4-AZA STEROIDS AS ACTIVE INHIBITORS OF TESTOSTERONE 5-ALPHA-REDUCTASE AND C17-20-LYASE HOECHST MARION ROUSSEL, INC. (US) 1998-12-02 EP disclosed
WO-1997030069-A1 17-BETA-CYCLOPROPYL(AMINO/OXY) 4-AZA STEROIDS AS ACTIVE INHIBITORS OF TESTOSTERONE 5-ALPHA-REDUCTASE AND C17-20-LYASE HOECHST MARION ROUSSEL, INC. (US) 1997-08-21 WO disclosed