SCHEMBL10704398

SCHEMBL10704398

C=C1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]3(OC(=O)CCCCC)C(C)=O)[C@@]2(C)C(=C)C(=C)C(=O)C=C12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.56
▸ NR3C1 P04150 5/20 0.56
▸ PGR P06401 5/20 0.56
▸ SMN1; SMN2 Q16637 5/20 0.56
▸ HIF1A Q16665 4/20 0.56
▸ LMNA P02545 4/20 0.56
▸ NPSR1 Q6W5P4 4/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ ADORA3 P0DMS8 2/20 0.56
▸ HPGD P15428 1/20 0.56
▸ MLNR O43193 1/20 0.56
▸ NR1I2 O75469 1/20 0.56
▸ MAPT P10636 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 4/20 0.42
▸ AR P10275 4/20 0.37

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
SCHEMBL10705490 0.95 NR3C1 (0.49) CYP3A4NR3C1PGRSMN1; SMN2HIF1A
SCHEMBL10703062 0.91 CYP3A4 (0.45) CYP3A4NR3C1PGRSMN1; SMN2HIF1A
SCHEMBL10706233 0.88 NR3C1 (0.42) CYP3A4NR3C1PGRSMN1; SMN2HIF1A
SCHEMBL10703151 0.88 PGR (0.47) CYP3A4NR3C1PGRSMN1; SMN2HIF1A
SCHEMBL10705479 0.85 LMNA (0.69) CYP3A4NR3C1PGRSMN1; SMN2HIF1A
SCHEMBL10706371 0.84 LMNA (0.55) CYP3A4NR3C1PGRSMN1; SMN2HIF1A
SCHEMBL10703731 0.82 LMNA (0.38) CYP3A4NR3C1PGRSMN1; SMN2HIF1A
SCHEMBL10704394 0.82 CYP3A4 (0.55) CYP3A4NR3C1PGRSMN1; SMN2HIF1A
SCHEMBL10704042 0.81 CYP3A4 (0.56) CYP3A4NR3C1PGRSMN1; SMN2HIF1A
SCHEMBL11204812 0.80 SMN1; SMN2 (0.62) CYP3A4NR3C1PGRSMN1; SMN2HIF1A

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 4 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 claimed
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 claimed
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
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