SCHEMBL8425113

SCHEMBL8425113

C=C1CCO[C@@]12CC[C@H]1[C@@H]3C[C@@H](C)C4=CC(=O)CC[C@@H]4[C@H]3[C@@H](c3ccccc3OC)C[C@@]12C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 11/20 0.51
▸ NR3C1 P04150 9/20 0.41
▸ HIF1A Q16665 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ AR P10275 5/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ NR3C2 P08235 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
SCHEMBL8427024 0.86 PGR (0.60) PGRNR3C1LMNAARCYP3A4
SCHEMBL8425073 0.79 PGR (0.49) PGRNR3C1HIF1AMEN1LMNA
SCHEMBL9322215 0.71 PGR (0.46) PGRNR3C1HIF1AMEN1LMNA
SCHEMBL8427242 0.71 PGR (0.81) PGRNR3C1HIF1ALMNACYP2C19
SCHEMBL8427053 0.69 PGR (0.81) PGRNR3C1HIF1ALMNACYP2C19
SCHEMBL6512260 0.69 ALDH1A1 (0.46) PGRNR3C1HIF1AMEN1LMNA
SCHEMBL8423175 0.68 PGR (1.00) PGRNR3C1ARCYP3A4
SCHEMBL8424832 0.68 PGR (0.79) PGRNR3C1HIF1ALMNACYP2C19
SCHEMBL8423021 0.67 PGR (0.62) PGRNR3C1HIF1AMEN1LMNA
SCHEMBL8427168 0.66 AR (0.64) PGRNR3C1HIF1ALMNACYP2C19

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-0582338-B1 17-Spiromethylene steroids AKZO NOBEL NV (NL) 1999-10-20 — — EP disclosed
US-5854235-A 17-spiromethylene steroids AKZO NOBEL N.V. (NL) 1998-12-29 — — US disclosed
US-5712264-A 17-spiromethylene steroids AKZO NOBEL N.V. (NL) 1998-01-27 — — US disclosed
EP-0582338-A2 17-Spiromethylene steroids Akzo Nobel N.V. (NL) 1994-02-09 — — EP disclosed
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