SCHEMBL10704042

SCHEMBL10704042

C=C1C[C@H]2[C@@H]3CC[C@](OC(=O)CCCCC)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@]2(C)C1=CC(=O)CC2CCl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 7/20 0.56
▸ NR3C1 P04150 6/20 0.56
▸ SMN1; SMN2 Q16637 5/20 0.56
▸ PGR P06401 5/20 0.56
▸ LMNA P02545 5/20 0.56
▸ HIF1A Q16665 4/20 0.56
▸ NPSR1 Q6W5P4 4/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ ADORA3 P0DMS8 2/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ HPGD P15428 1/20 0.56
▸ MLNR O43193 1/20 0.56
▸ NR1I2 O75469 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ SLC6A3 Q01959 1/20 0.56
▸ PDE4D Q08499 1/20 0.56
▸ PDE3A Q14432 1/20 0.56
▸ NR3C2 P08235 3/20 0.41
▸ AR P10275 5/20 0.39

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
SCHEMBL10705817 0.98 CYP3A4 (0.53) CYP3A4NR3C1SMN1; SMN2PGRLMNA
SCHEMBL10711533 0.94 NR3C1 (0.48) CYP3A4NR3C1SMN1; SMN2PGRLMNA
SCHEMBL10707927 0.91 CYP3A4 (0.44) CYP3A4NR3C1SMN1; SMN2PGRLMNA
SCHEMBL10705824 0.89 CYP3A4 (0.42) CYP3A4NR3C1SMN1; SMN2PGRLMNA
SCHEMBL10705560 0.88 CYP3A4 (0.49) CYP3A4NR3C1SMN1; SMN2PGRLMNA
SCHEMBL10705553 0.88 CYP3A4 (0.49) CYP3A4NR3C1SMN1; SMN2PGRLMNA
SCHEMBL10704394 0.85 CYP3A4 (0.55) CYP3A4NR3C1SMN1; SMN2PGRLMNA
SCHEMBL10706225 0.83 NR3C1 (0.52) CYP3A4NR3C1SMN1; SMN2PGRLMNA
SCHEMBL10707897 0.82 CYP3A4 (0.40) CYP3A4NR3C1SMN1; SMN2PGRLMNA
SCHEMBL11204812 0.82 SMN1; SMN2 (0.62) CYP3A4NR3C1SMN1; SMN2PGRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0153270-B1 1-ALPHA, 2-ALPHA-METHYLENE-6-METHYLENE AND 6-ALPHA-METHYL PREGNENES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1988-07-27 — — EP disclosed
US-4670427-A ANTIANDROGENS SCHERING AKTIENGESELLSCHAFT (DE) 1987-06-02 — — US disclosed
EP-0153270-A2 1-Alpha, 2-alpha-methylene-6-methylene and 6-alpha-methyl pregnenes, process for their preparation and pharmaceutical compositions containing them SCHERING AKTIENGESELLSCHAFT (DE) 1985-08-28 — — EP disclosed
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