SCHEMBL10957564

SCHEMBL10957564

CCCOC(=O)CC[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 5/20 0.59
▸ SHBG P04278 4/20 0.59
▸ PGR P06401 4/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ ADRA1A P35348 1/20 0.59
▸ HTR2B P41595 1/20 0.59
▸ LMNA P02545 6/20 0.58
▸ SMN1; SMN2 Q16637 5/20 0.58
▸ MEN1 O00255 4/20 0.58
▸ KMT2A Q03164 4/20 0.58
▸ HIF1A Q16665 4/20 0.58
▸ CYP3A4 P08684 4/20 0.58
▸ MAPT P10636 4/20 0.58
▸ ADORA3 P0DMS8 2/20 0.58
▸ SLC6A3 Q01959 2/20 0.58
▸ NR1I2 O75469 2/20 0.58
▸ HPGD P15428 1/20 0.58
▸ MLNR O43193 1/20 0.58
▸ HTT P42858 1/20 0.58
▸ PDE4D Q08499 1/20 0.58

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
SCHEMBL10957556 1.00 NR3C1 (0.59) NR3C1SHBGPGRALDH1A1ADRA1A
SCHEMBL10960072 0.93 PSEN1 (0.61) NR3C1SHBGPGRALDH1A1ADRA1A
SCHEMBL10960067 0.93 PSEN1 (0.61) NR3C1SHBGPGRALDH1A1ADRA1A
SCHEMBL10882598 0.91 LMNA (0.59) NR3C1SHBGPGRALDH1A1ADRA1A
SCHEMBL10882603 0.91 LMNA (0.59) NR3C1SHBGPGRALDH1A1ADRA1A
SCHEMBL10442550 0.91 NR3C1 (0.61) NR3C1SHBGPGRALDH1A1ADRA1A
SCHEMBL10442549 0.91 NR3C1 (0.61) NR3C1SHBGPGRALDH1A1ADRA1A
SCHEMBL10961047 0.89 SHBG (0.64) NR3C1SHBGPGRALDH1A1ADRA1A
SCHEMBL10961041 0.89 SHBG (0.64) NR3C1SHBGPGRALDH1A1ADRA1A
SCHEMBL10882344 0.87 AR (0.61) NR3C1SHBGPGRALDH1A1ADRA1A

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-4542128-A 17α-Pregn-4-ene-3-oxo-21-carboxylic acid esters, process for the preparation thereof, and use thereof as medicinal agents SCHERING AKTIENGESELLSCHAFT (DE) 1985-09-17 — — US disclosed
EP-0099854-A2 17-Alpha-pregn-4-ene-3-oxo-21-carboxylic acid esters, process for the preparation thereof, and use thereof as medicinal agents SCHERING AKTIENGESELLSCHAFT (DE) 1984-02-01 — — EP disclosed
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