SCHEMBL8707348

SCHEMBL8707348

C[C@]12CCC(=O)NC1=CC[C@H]1[C@@H]3CCC[C@@]3(CO)CC[C@@H]12

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.51
CYP19A1 P11511 17/20 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
SCHEMBL5183886 0.83 SRD5A1 (0.53) SRD5A1CYP19A1
SCHEMBL5183889 0.83 SRD5A1 (0.53) SRD5A1CYP19A1
SCHEMBL4619444 0.79 CYP19A1 (0.46) CYP19A1
SCHEMBL7529519 0.78 CYP19A1 (0.58) SRD5A1CYP19A1
SCHEMBL3797856 0.78 CYP19A1 (0.58) SRD5A1CYP19A1
SCHEMBL9318216 0.77 SRD5A1 (0.61) SRD5A1CYP19A1
SCHEMBL9939642 0.76 CYP19A1 (0.60) CYP19A1
SCHEMBL5907009 0.76 SRD5A1 (0.49) SRD5A1CYP19A1
SCHEMBL13970856 0.76 SRD5A1 (0.54) SRD5A1CYP19A1
SCHEMBL7617295 0.75 SRD5A1 (0.64) SRD5A1CYP19A1

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-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