SCHEMBL14216528

SCHEMBL14216528

C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@]3(C)[C@H](C[C@@H]4C[C@@]43CO)[C@@H]21

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 14/20 0.57
▸ PGR P06401 12/20 0.54
▸ NR3C2 P08235 4/20 0.54
▸ SHBG P04278 1/20 0.44
▸ LMNA P02545 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ ALDH1A1 P00352 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
SCHEMBL14216486 0.86 PDK1 (0.43) ARPGRNR3C2SHBG
SCHEMBL14216488 0.86 PDK1 (0.43) ARPGRNR3C2SHBG
SCHEMBL14216532 0.84 PGR (0.55) ARPGRNR3C2SHBGLMNA
SCHEMBL14216509 0.82 AR (0.39) ARPGRNR3C2
SCHEMBL7120650 0.81 AR (0.63) ARPGRNR3C2SHBGLMNA
SCHEMBL5023928 0.81 AR (0.63) ARPGRNR3C2SHBGLMNA
SCHEMBL5023925 0.81 AR (0.63) ARPGRNR3C2SHBGLMNA
SCHEMBL24476181 0.80 AR (0.62) ARPGRNR3C2SHBGLMNA
SCHEMBL6467277 0.80 AR (0.62) ARPGRNR3C2SHBGLMNA
SCHEMBL6467275 0.80 AR (0.62) ARPGRNR3C2SHBGLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343806-B1 METHYLENE STEROIDS AS NOVEL ANDROGENS ORGANON NV (NL) 2008-05-28 — — EP disclosed
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