SCHEMBL7080880

SCHEMBL7080880

CC1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@]3(C)C(=O)CC[C@H]3[C@H]12

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 12/20 0.67
▸ AR P10275 6/20 0.65
▸ PGR P06401 5/20 0.58
▸ NR3C2 P08235 2/20 0.58
▸ SHBG P04278 1/20 0.52

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
SCHEMBL5157184 1.00 CYP19A1 (0.67) CYP19A1ARPGRNR3C2SHBG
SCHEMBL13216950 1.00 CYP19A1 (0.67) CYP19A1ARPGRNR3C2SHBG
SCHEMBL29008753 1.00 CYP19A1 (0.67) CYP19A1ARPGRNR3C2SHBG
SCHEMBL5017877 1.00 CYP19A1 (0.67) CYP19A1ARPGRNR3C2SHBG
SCHEMBL14342104 1.00 CYP19A1 (0.67) CYP19A1ARPGRNR3C2SHBG
SCHEMBL5974440 0.88 CYP19A1 (0.51) CYP19A1ARPGRNR3C2
SCHEMBL7618203 0.88 CYP19A1 (0.51) CYP19A1ARPGRNR3C2
SCHEMBL5973825 0.84 CYP19A1 (0.62) CYP19A1ARPGRNR3C2
SCHEMBL1656778 0.84 CYP19A1 (0.62) CYP19A1ARPGRNR3C2
SCHEMBL13809835 0.82 CYP19A1 (0.60) CYP19A1ARPGRNR3C2

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-1322660-A2 17ALPHA-FLUOROALKYL STEROIDS, METHOD FOR PRODUCING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS Schering AG (DE) 2003-07-02 — — EP disclosed
WO-2002026759-A2 17α FLUOROALKYL STEROIDS, METHOD FOR PRODUCING THE SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS SCHERING AG (DE) 2002-04-04 — — WO disclosed
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