SCHEMBL28753933

SCHEMBL28753933

O=C1C=C2C=C[C@@H]3[C@H](CC[C@]4(CO)CCC[C@@H]34)[C@H]2CC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 5/20 0.49
▸ PGR P06401 4/20 0.49
▸ NR3C2 P08235 2/20 0.49
▸ SERPINA6 P08185 2/20 0.34
▸ SHBG P04278 2/20 0.34
▸ SLC22A1 O15245 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ CYP19A1 P11511 3/20 0.34
▸ MEN1 O00255 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ NR3C1 P04150 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL13474810 0.88 AR (0.57) ARPGRNR3C2SHBGCYP19A1
SCHEMBL3647270 0.84 AR (0.48) ARPGRNR3C2SERPINA6SHBG
SCHEMBL2929841 0.80 AR (0.57) ARPGRNR3C2SERPINA6SHBG
SCHEMBL13217275 0.80 AR (0.57) ARPGRNR3C2SERPINA6SHBG
SCHEMBL3766876 0.80 ESR1 (0.32) ARPGRNR3C2ALDH1A1LMNA
SCHEMBL4013306 0.76 CYP19A1 (0.56) ARPGRSERPINA6SHBGSLC22A1
SCHEMBL13372776 0.73 AR (0.53) ARPGRNR3C2SHBGCYP19A1
SCHEMBL29335494 0.73 AR (0.51) ARPGRNR3C2SERPINA6SHBG
SCHEMBL2833823 0.73 AR (0.51) ARPGRNR3C2SERPINA6SHBG
SCHEMBL13809834 0.73 AR (0.58) ARPGRNR3C2CYP19A1

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
CN-114634542-B Preparation method of dehydronandrolone acetate 湖北武当安泰药业有限公司 2022-11-25 — — CN disclosed
CN-114634542-A Preparation method of dehydronandrolone acetate 湖北武当安泰药业有限公司 2022-06-17 — — CN disclosed
Send feedback