SCHEMBL7649810

SCHEMBL7649810

C[C@]12CCC(=O)C=C1C(=O)C[C@H]1[C@@H]3CCC(=O)[C@@]3(CO)CC[C@@H]12

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 20/20 0.75
OR51E2 Q9H255 1/20 0.60

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
SCHEMBL42713 0.86 CYP19A1 (1.00) CYP19A1
SCHEMBL42712 0.86 CYP19A1 (1.00) CYP19A1
SCHEMBL2600419 0.86 CYP19A1 (1.00) CYP19A1
SCHEMBL4004567 0.82 CYP19A1 (0.78) CYP19A1OR51E2
Fluoride SCHEMBL27614226 0.81 CYP19A1 (0.77) CYP19A1OR51E2
SCHEMBL6821320 0.80 CYP19A1 (0.78) CYP19A1
SCHEMBL7097095 0.80 CYP19A1 (0.78) CYP19A1
SCHEMBL11223427 0.77 CYP19A1 (0.76) CYP19A1OR51E2
SCHEMBL11223430 0.77 CYP19A1 (0.76) CYP19A1OR51E2
SCHEMBL8760308 0.77 CYP19A1 (0.72) CYP19A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002030355-A2 COMPOSITION AND METHOD OF ALLEVIATING ADVERSE SIDE EFFECTS AND/OR ENHANCING EFFICACY OF AGENTS THAT INHIBIT AROMATASE KRAGIE LAURA (US) 2002-04-18 WO disclosed
EP-0382162-A3 PROCESS FOR PREPARING 14-ALPHA-HYDROXY-4-ANDROSTENE-3,6,17-TRIONE SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 1991-03-13 EP disclosed
EP-0382162-A2 Process for preparing 14-alpha-hydroxy-4-androstene-3,6,17-trione SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 1990-08-16 EP disclosed
EP-0382162-A2 Process for preparing 14-alpha-hydroxy-4-androstene-3,6,17-trione SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 1990-08-16 EP disclosed