SCHEMBL6466919

SCHEMBL6466919

C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@H]([C@H]4C[C@H]4[C@H]3CO)[C@@H]21

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 11/20 0.59
▸ PGR P06401 10/20 0.52
▸ NR3C2 P08235 3/20 0.46
▸ SHBG P04278 2/20 0.45
▸ SERPINA6 P08185 2/20 0.43
▸ SLC22A1 O15245 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP19A1 P11511 2/20 0.38

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
SCHEMBL6466916 1.00 AR (0.59) ARPGRNR3C2SHBGSERPINA6
SCHEMBL7879965 0.84 AR (0.66) ARPGRNR3C2SHBGSERPINA6
SCHEMBL6464801 0.84 AR (0.66) ARPGRNR3C2SHBGSERPINA6
SCHEMBL6465190 0.84 AR (0.60) ARPGRNR3C2SHBGSERPINA6
SCHEMBL5017880 0.84 AR (0.66) ARPGRNR3C2SHBGSERPINA6
SCHEMBL6464713 0.82 AR (0.58) ARPGRNR3C2SHBGSERPINA6
SCHEMBL7702783 0.82 AR (0.58) ARPGRNR3C2SHBGSERPINA6
SCHEMBL7702784 0.82 AR (0.58) ARPGRNR3C2SHBGSERPINA6
SCHEMBL7698731 0.82 AR (0.58) ARPGRNR3C2SHBGSERPINA6
SCHEMBL7698728 0.82 AR (0.58) ARPGRNR3C2SHBGSERPINA6

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
US-6881728-B1 14-β, 17-α-hydroxymethylandrostane derivatives as androgens AKZO NOBEL N.V. (NL) 2005-04-19 — — US disclosed
EP-1163259-B1 14.BETA.,17-ALPHA-HYDROXYMETHYLANDROSTANE DERIVATIVES AS ANDROGENS AKZO NOBEL NV (NL) 2002-11-20 — — EP disclosed
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