SCHEMBL10805580

SCHEMBL10805580

CC(=O)O[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@H]1CCC(=O)C=C1C[C@H]3C#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 3/20 0.52
▸ MAPT P10636 5/20 0.51
▸ LMNA P02545 2/20 0.51
▸ SERPINA6 P08185 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.44
▸ SLC22A1 O15245 1/20 0.44
▸ SHBG P04278 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ MCL1 Q07820 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ ESR1 P03372 2/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ BRCA1 P38398 1/20 0.42
▸ RECQL P46063 1/20 0.42

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
Trestolone Acetate SCHEMBL2787569 0.86 AR (0.70) ARMAPTLMNASERPINA6ALDH1A1
Trestolone Acetate SCHEMBL12101463 0.86 AR (0.70) ARMAPTLMNASERPINA6ALDH1A1
Trestolone Acetate SCHEMBL17302814 0.86 AR (0.70) ARMAPTLMNASERPINA6ALDH1A1
Trestolone Acetate SCHEMBL25863451 0.86 AR (0.70) ARMAPTLMNASERPINA6ALDH1A1
Trestolone Acetate SCHEMBL7779251 0.86 AR (0.70) ARMAPTLMNASERPINA6ALDH1A1
Trestolone Acetate SCHEMBL17302787 0.86 AR (0.70) ARMAPTLMNASERPINA6ALDH1A1
Trestolone Acetate SCHEMBL17302820 0.86 AR (0.70) ARMAPTLMNASERPINA6ALDH1A1
SCHEMBL29462890 0.84 AR (0.72) ARMAPTLMNASERPINA6ALDH1A1
SCHEMBL6836733 0.83 MAPT (0.57) ARMAPTLMNASERPINA6ALDH1A1
SCHEMBL6848899 0.83 AR (0.55) ARMAPTLMNASERPINA6ALDH1A1

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-4659516-A ANTIESTROGENS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-04-21 — — US disclosed
EP-0138504-A2 Steroid derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-04-24 — — EP disclosed
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